3-Amino-1-phenyl-2-pyrazoline

C9H11N3CAS 3314-35-0161.21 g/mol

Open in Covalent MOL file
HNNNH
AmidineTertiary amine

Properties

Molecular formula
C9H11N3
Molar mass
161.21 g/mol
Exact mass
161.0953 Da
Melting point
169 °C
logP
1.38Crippen estimate
Polar surface area
39.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
3314-35-0
SMILES
N=C1CCN(c2ccccc2)N1
InChIKey
QENUTIJJGGTTPE-UHFFFAOYSA-N
InChI
InChI=1S/C9H11N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)

Weigh it out

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

Names and synonyms

9 names
  • 1H-Pyrazol-3-amine, 4,5-dihydro-1-phenyl-
  • 2-Pyrazoline, 3-amino-1-phenyl-
  • 4,5-Dihydro-1-phenyl-1H-pyrazol-3-amine
  • 3-Amino-1-phenylpyrazoline
  • 3-Amino-1-phenyl-4,5-dihydropyrazole
  • NSC 162874
  • 1-Phenyl-4,5-dihydro-1H-pyrazol-3-amine
  • 2-Phenyl-3,4-dihydropyrazol-5-amine
  • 3-Amino-1-phenylpyrazole

Work with 3-Amino-1-phenyl-2-pyrazoline

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

Similar compounds

3-Amino-1-phenyl-2-pyrazolin-5-one4149-06-845 % similar Phenylpiperazine92-54-635 % similar 1-Phenylpyrrolidine4096-21-334 % similar 1-Phenyl-2-pyrrolidinone4641-57-034 % similar N-Phenylpiperidine4096-20-233 % similar Phenidone92-43-333 % similar 1-Phenylpiperazine hydrochloride2210-93-732 % similar Benzylurea538-32-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3,6-Hexanetricarbonitrile1772-25-4 (1-Methyl-1H-benzimidazol-2-yl)methylamine20028-40-4 2-Amino-5,6-dimethylbenzimidazole29096-75-1 2,3-Dimethyl-2H-indazol-6-amine444731-72-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook