3-Amino-5-phenylpyrazole

C9H9N3CAS 1572-10-7159.19 g/mol

Open in Covalent MOL file
HNNHHN

Properties

Molecular formula
C9H9N3
Molar mass
159.19 g/mol
Exact mass
159.0796 Da
Melting point
126–127 °C
logP
1.49Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
3 / 1
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
1572-10-7
SMILES
N=c1cc(-c2ccccc2)[nH][nH]1
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

16 names · show all
  • 1H-Pyrazol-3-amine, 5-phenyl-
  • 5-Phenyl-1H-pyrazol-3-ylamine
  • 3-Amino-5-phenyl-2H-pyrazole
  • 3-Phenyl-1H-pyrazol-5-amine
  • 5-Amino-3-phenyl-1H-pyrazole
  • 5-Phenylpyrazol-3-ylamine
  • Pyrazole, 3-amino-5-phenyl-
  • Pyrazole, 3(or 5)-amino-5(or 3)-phenyl-
  • 5-Phenyl-1H-pyrazol-3-amine
  • 3-Phenyl-5-aminopyrazole
  • 5-Amino-3-phenylpyrazole
  • 5-Phenyl-3-aminopyrazole
  • 3-Phenyl-5-pyrazolamine
  • 5-Phenyl-3-pyrazolamine
  • 3-Amino-5-phenyl-1H-pyrazole
  • 5-Phenyl-1-pyrazol-3-amine

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-phenylpyrazole827-41-8

Similar compounds

3-(4-Fluorophenyl)-1H-pyrazol-5-amine72411-52-061 % similar 5-(4-Bromophenyl)-1H-pyrazol-3-amine78583-82-161 % similar 5-(4-Methylphenyl)-1H-pyrazol-3-amine78597-54-361 % similar 2-Amino-4-phenylthiazole2010-06-245 % similar 5-Phenyl-2-pyridinamine33421-40-843 % similar 4-[1,1′-Biphenyl]-4-yl-2-thiazolamine2834-79-942 % similar 2,4-Diphenyl-1H-pyrrole3274-56-441 % similar 2-Phenylindole948-65-240 % 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

PubChem CAS Common Chemistry NIST WebBook