4-Chloro-5-phenyl-2H-pyrazol-3-ylamine

Substructure search Find similar structures

Basic information

CAS: 50671-38-0
Standard SMILES: Nc1n[nH]c(-c2ccccc2)c1Cl
InChIKey: IOIPSHYTEXGVBT-UHFFFAOYSA-N
Molecular formula: C9H8ClN3
Average molar mass: 193.63 g/mol
Monoisotopic mass: 193.040675

Names & identifiers

Preferred name: 4-Chloro-5-phenyl-2H-pyrazol-3-ylamine
IUPAC: 4-chloro-5-phenyl-1H-pyrazol-3-amine

Names & synonyms

4-chloro-5-phenyl-1H-pyrazol-3-amine50671-38-04-Chloro-5-phenyl-2H-pyrazol-3-ylamine4-Chloro-3-phenyl-1H-pyrazol-5-amine1H-Pyrazol-3-amine, 4-chloro-5-phenyl-BAS 03242163SCHEMBL2870468SCHEMBL11664468DTXSID90357131KFA27236AKOS000505957TS-02748

Database identifiers

CAS: 50671-38-0
PubChem CID: 844945
DTXSID: DTXSID90357131

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 54.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 170

Related reactions

1 records

New reaction record

HRID 1560055As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…