1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine

C17H14ClF2N3 — CID 71287927

IUPAC1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine
SMILESCC(F)(F)c1cccc(-c2cc(N)nn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H14ClF2N3/c1-17(19,20)12-4-2-3-11(9-12)15-10-16(21)22-23(15)14-7-5-13(18)6-8-14/h2-10H,1H3,(H2,21,22)
InChIKeyRNSZOZKHMACQDC-UHFFFAOYSA-N
MW333.77 g/mol
LogP4.89
Rot. Bonds3

About 1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine

1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine (PubChem CID 71287927) has the molecular formula C17H14ClF2N3 and a molecular weight of 333.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine
PubChem CID71287927
Molecular FormulaC17H14ClF2N3
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine
SMILESCC(F)(F)c1cccc(-c2cc(N)nn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H14ClF2N3/c1-17(19,20)12-4-2-3-11(9-12)15-10-16(21)22-23(15)14-7-5-13(18)6-8-14/h2-10H,1H3,(H2,21,22)
InChIKeyRNSZOZKHMACQDC-UHFFFAOYSA-N
XLogP4.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine?
The IUPAC name of 1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine (CID 71287927) is 1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine is CC(F)(F)c1cccc(-c2cc(N)nn2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine?
The InChIKey is RNSZOZKHMACQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3/c1-17(19,20)12-4-2-3-11(9-12)15-10-16(21)22-23(15)14-7-5-13(18)6-8-14/h2-10H,1H3,(H2,21,22).
What are the key properties of 1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine?
1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine has a molecular weight of 333.77 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[3-(1,1-difluoroethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 71287927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).