5-amino-1-methyl-1H-pyrazole-4-carboxylic acid

HCID 313342CAS 4058-91-7
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1ncc(C(=O)O)c1N
InChIKey
NVRCXLPKLCKSSN-UHFFFAOYSA-N
Molecular formula
C5H7N3O2
Average molar mass
141.13 g/mol
Monoisotopic mass
141.05382646

Names & identifiers

Preferred name
5-amino-1-methyl-1H-pyrazole-4-carboxylic acid
IUPAC
5-amino-1-methylpyrazole-4-carboxylic acid
English name
1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-(9CI)
Molecular formula
C5H7N3O2
Molecular weight
141.13

Names & synonyms

5-amino-1-methyl-1H-pyrazole-4-carboxylic acidDTXSID10310440RefChem:532033DTXCID30261566692-031-74058-91-75-Amino-1-methylpyrazole-4-carboxylic acidMFCD00973833SCHEMBL535661STK936436AKOS001312264AC-3059
Show more names
EOS-618075-Amino-4-carboxy-1-methyl-1H-pyrazole5-Amino-1-methylpyrazole-4-carboxylicAci5-azanyl-1-methyl-pyrazole-4-carboxylic acid5-AMino-1-Methyl-1H-pyrazole-4-carboxylic acid Methyl ester1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-(9CI) USP/EP/BP
AS-5653MB01617SY0037111H-Pyrazole-4-carboxylic acid, 5-amino-1-methyl-1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-(9CI)NSC2272305-amino-1-methyl-pyrazole-4-carboxylic acid5-amino-1-methyl-1H-Pyrazole-4-carboxylicacid

Database identifiers

CAS
4058-91-7
PubChem CID
313342
DTXSID
DTXSID10310440
EC Number
692-031-7

Properties

Computed structural properties

XLogP
0
Topological polar surface area
81.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Boiling point
371.3 · 371.3±27.0 °C(Predicted)
Density
1.56 · 1.56±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
4.62 · 4.62±0.10(Predicted)
Appearance
White to yellow Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (75%)

Safety data

hs_code
2933199090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

Uses5-Amino-1-methyl-1H-pyrazole-4-carboxylic Acid is used in preparation of pyrazolopyrimidinone compounds with herbicidal activity.

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

Related reactions

3 records
New reaction record

Linked notes

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