1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine

C17H14ClN5 — CID 718013

IUPAC1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine
SMILESCc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5/c1-10-15(11-6-8-12(18)9-7-11)16(19)23(22-10)17-20-13-4-2-3-5-14(13)21-17/h2-9H,19H2,1H3,(H,20,21)
InChIKeyUPKMMWQBGWXLHN-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.96
Rot. Bonds2

About 1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine

1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine (PubChem CID 718013) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine
PubChem CID718013
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine
SMILESCc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5/c1-10-15(11-6-8-12(18)9-7-11)16(19)23(22-10)17-20-13-4-2-3-5-14(13)21-17/h2-9H,19H2,1H3,(H,20,21)
InChIKeyUPKMMWQBGWXLHN-UHFFFAOYSA-N
XLogP3.96
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-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-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine (CID 718013) is 1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine is Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine?
The InChIKey is UPKMMWQBGWXLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c1-10-15(11-6-8-12(18)9-7-11)16(19)23(22-10)17-20-13-4-2-3-5-14(13)21-17/h2-9H,19H2,1H3,(H,20,21).
What are the key properties of 1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine?
1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine has a molecular weight of 323.79 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-4-(4-chlorophenyl)-3-methylpyrazol-5-amine is sourced from PubChem (CID 718013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).