3-Amino-5-phenylpyrazole

C9H9N3CAS 827-41-8159.19 g/mol

Open in Covalent MOL file
NHNNH2
Primary amine

Properties

Molecular formula
C9H9N3
Molar mass
159.19 g/mol
Exact mass
159.0796 Da
logP
1.66Crippen estimate
Polar surface area
54.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
827-41-8
SMILES
C1=CC=C(C=C1)C2=CC(=NN2)N
InChIKey
PWSZRRFDVPMZGM-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 5-Amino-3-phenylpyrazole

Work with 3-Amino-5-phenylpyrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Amino-5-phenylpyrazole1572-10-7

Similar compounds

3-(4-Chlorophenyl)-1H-pyrazol-5-amine78583-81-065 % similar 5-Amino-3-(4-methoxyphenyl)pyrazole19541-95-859 % similar 5-(4-Nitrophenyl)-2H-pyrazol-3-ylamine78583-83-254 % similar 3-(2-Furyl)-1H-pyrazol-5-amine96799-02-953 % similar 5-Thien-2-yl-1H-pyrazol-3-amine96799-03-053 % similar 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-247 % similar 3-Bromo-1H-pyrazol-5-amine950739-21-642 % similar 3-Cyclopropyl-1H-pyrazol-5-amine175137-46-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Hydrazinoquinoline15793-77-8 4-(1H-Pyrazol-1-yl)aniline17635-45-9 4-(1H-Imidazol-1-yl)aniline2221-00-3 4-Phenyl-1H-pyrazol-5-amine57999-06-1

Elsewhere

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