4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine

C21H17ClN4 — CID 139405714

IUPAC4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine
SMILESClc1ccc(-c2cc(Nc3ccc(Nc4ccccc4)cc3)n[nH]2)cc1
InChIInChI=1S/C21H17ClN4/c22-16-8-6-15(7-9-16)20-14-21(26-25-20)24-19-12-10-18(11-13-19)23-17-4-2-1-3-5-17/h1-14,23H,(H2,24,25,26)
InChIKeyHPXCCEDRVWBBFK-UHFFFAOYSA-N
MW360.85 g/mol
LogP6.22
Rot. Bonds5

About 4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine

4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine (PubChem CID 139405714) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is 4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine
PubChem CID139405714
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC Name4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine
SMILESClc1ccc(-c2cc(Nc3ccc(Nc4ccccc4)cc3)n[nH]2)cc1
InChIInChI=1S/C21H17ClN4/c22-16-8-6-15(7-9-16)20-14-21(26-25-20)24-19-12-10-18(11-13-19)23-17-4-2-1-3-5-17/h1-14,23H,(H2,24,25,26)
InChIKeyHPXCCEDRVWBBFK-UHFFFAOYSA-N
XLogP6.22
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.85
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
CID 134910071
2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137372065
5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine
CID 59989230
2-N,6-N-bis(5-phenyl-1H-pyrazol-3-yl)pyridine-2,6-diamine
CID 139220875
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 10969426
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine
CID 24849421
5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63048476
N-(4-chlorophenyl)-4-naphthalen-2-ylaniline
CID 58202585
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
CID 25260346
5-(2,6-difluorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
CID 141340129
N-(4-chlorophenyl)pyridin-2-amine
CID 139075249

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine (CID 139405714) is 4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine is Clc1ccc(-c2cc(Nc3ccc(Nc4ccccc4)cc3)n[nH]2)cc1.
What is the InChIKey of 4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine?
The InChIKey is HPXCCEDRVWBBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c22-16-8-6-15(7-9-16)20-14-21(26-25-20)24-19-12-10-18(11-13-19)23-17-4-2-1-3-5-17/h1-14,23H,(H2,24,25,26).
What are the key properties of 4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine?
4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine has a molecular weight of 360.85 g/mol, XLogP of 6.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 139405714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).