5-Amino-3-(4-methylphenyl)pyrazole

HCID 736768CAS 78597-54-3
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(-c2cc(N)n[nH]2)cc1
InChIKey
GVPFRVKDBZWRCZ-UHFFFAOYSA-N
Molecular formula
C10H11N3
Average molar mass
173.21 g/mol
Monoisotopic mass
173.09529735

Names & identifiers

Preferred name
5-Amino-3-(4-methylphenyl)pyrazole
IUPAC
5-(4-methylphenyl)-1H-pyrazol-3-amine
English name
5-AMINO-3-(4-METHYLPHENYL)PYRAZOLE
Molecular formula
C10H11N3
Molecular weight
173.21

Names & synonyms

5-Amino-3-(4-methylphenyl)pyrazole5-(4-methylphenyl)-1h-pyrazol-3-amineRefChem:532243624-861-278597-54-35-(P-tolyl)-1H-pyrazol-3-amine3-Amino-5-(4-methylphenyl)-1H-pyrazole151293-15-1895042-38-33-Amino-5-p-Tolylpyrazole3-(4-methylphenyl)-1H-pyrazol-5-amine1H-Pyrazol-3-amine, 5-(4-methylphenyl)-
Show more names
BUTTPARK 48\12-73SALOR-INT L317845-1EA3-tosyl-1H-pyrazol-5-amine5-p-Tolyl-1H-pyrazol-3-amine5-AMino-4-(Methylphenyl)pyrazole3-Amino-5-(4-methylphenyl)pyrazole
MFCD000848873-p-tolyl-1h-pyrazol-5-amine5-(4-methylphenyl)-2H-pyrazol-3-amineBAS 00705173SCHEMBL1143959HMS1501F20AB031623-(4-methylphenyl)pyrazole-5-ylamine

Database identifiers

CAS
78597-54-3
PubChem CID
736768
DTXSID
DTXSID10934221
ChEMBL
CHEMBL1483289
EC Number
624-861-2
Nikkaji
J1.717.398G、J938.772B

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
54.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
148 · 148-151 °C (lit.)
Boiling point
438 · 438.0±33.0 °C(Predicted)
Density
1.196 · 1.196±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
14.8 · 14.80±0.10(Predicted)
form
Powder

Safety & regulation

GHS classification

GHS Classification · 4 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2933199090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Uses5-Amino-3-(4-methylphenyl)pyrazole may be used:As a starting material for preparing 2,5-bis(4-methylphenyl)-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbaldehyde, a potential precursor for building bioactive fused polycyclic pyrazoles. To synthesize 4-hetarylpyrazolo[1,5-a][1,3,5]triazines under microwave conditions and in the absence of solvent.To synthesize 5-cyano-6,7-dihydro-3-(4-methylphenyl)-6-oxo-1H-pyrazolo[3,4-b]pyridine-4-carboxylates by reacting with dialkyl dicyanofumarates.

General Description5-Amino-3-(4-methylphenyl)pyrazole or 5-amino-3-(4-methylphenyl)-1H-pyrazole belongs to a family of 5-aminopyrazole derivatives, which are bioactive agents. They find a wide range of applications in the pharmaceutical and agrochemical industries.

Suppliers45 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

Related reactions

4 records
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Linked notes

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