1H-Pyrazol-3-amine, 5-methyl-

HCID 93146
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
268724-49-8
Standard SMILES
Cc1cc(N)n[nH]1
InChIKey
FYTLHYRDGXRYEY-UHFFFAOYSA-N
Molecular formula
C4H7N3
Average molar mass
97.12 g/mol
Monoisotopic mass
97.06399722

Overview

5-Methyl-3-pyrazolamine is a member of pyrazoles.

Names & identifiers

Preferred name
1H-Pyrazol-3-amine, 5-methyl-
IUPAC
5-methyl-1H-pyrazol-3-amine
English name
3-Amino-5-methylpyrazole
Molecular formula
C4H7N3
Molecular weight
97.12

Names & synonyms

3-Amino-5-methylpyrazole31230-17-85-Methyl-1H-pyrazol-3-amine3-methyl-1H-pyrazol-5-amine1H-Pyrazol-3-amine, 5-methyl-268724-49-85-methyl-1H-pyrazole-3-amine7M23CZ0CSDDTXSID9073466RefChem:438902DTXCID2038318627-107-0
Show more names
3-Methyl-5-aminopyrazole3,5-AMP3,1-AMPAKOS B0160213-Amino-5-methyLAKOS BBS-00004647BUTTPARK 48\04-98
816-985-2923-941-73-Amino-5-Methyl-1H-Pyrazole5-Amino-3-methylpyrazoleMFCD000751805-Methyl-2H-pyrazol-3-ylamineUNII-7M23CZ0CSD5-METHYLPYRAZOL-3-AMINE

Database identifiers

CAS
268724-49-8、31230-17-8
PubChem CID
93146
DTXSID
DTXSID9073466
ChEBI
CHEBI:189303
UNII
7M23CZ0CSD
EC Number
627-107-0、816-985-2、923-941-7
Nikkaji
J138.331K、J254.863A

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
54.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
7

Physicochemical properties

Melting point
45 · 45-47 °C (lit.)
Boiling point
213 °C/14 · 213 °C/14 mmHg (lit.)
Density
1.0548 · 1.0548 (rough estimate)
refractive index
1.52 · 1.5200 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Acute Tox. 4 (50%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29331990
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 3 items

Uses3-Amino-5-methyl-1H-pyrazole was employed as beta-sheet template to investigate its interaction with ferrocenoyl-dipeptides. It is also used in the synthesis of 4-aryl-3,7,7-trimethyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-ones. It can react with 4-Ethoxymethylene-2-phenyl-4H-oxazol-5-one to get N-(2-Methyl-7-oxo-4,7-dihydro-pyrazolo[1,5-a]pyrimidin-6-yl)-benzamide.

Uses3-Amino-5-methylpyrazole was employed as beta-sheet template to investigate its interaction with ferrocenoyl-dipeptides. It was also used in the synthesis of 4-aryl-3,7,7-trimethyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-ones.

General DescriptionComplexation of the amino- and carboxyl-protected tripeptide with 3-amino-5-methylpyrazole was studied by low-temperature NMR experiments in a freonic solvent.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Additional notes

DefinitionChEBI: 5-Methyl-3-pyrazolamine is a heterocyclic compound and a dicarboximide.

Related reactions

463 records
New reaction record

Compound notes

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