1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine

C17H15N5 — CID 718748

IUPAC1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine
SMILESCc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccccc1
InChIInChI=1S/C17H15N5/c1-11-15(12-7-3-2-4-8-12)16(18)22(21-11)17-19-13-9-5-6-10-14(13)20-17/h2-10H,18H2,1H3,(H,19,20)
InChIKeyZGYRGRPALXURFX-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.31
Rot. Bonds2

About 1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine

1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine (PubChem CID 718748) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine
PubChem CID718748
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine
SMILESCc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccccc1
InChIInChI=1S/C17H15N5/c1-11-15(12-7-3-2-4-8-12)16(18)22(21-11)17-19-13-9-5-6-10-14(13)20-17/h2-10H,18H2,1H3,(H,19,20)
InChIKeyZGYRGRPALXURFX-UHFFFAOYSA-N
XLogP3.31
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-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)-3-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine (CID 718748) is 1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine is Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccccc1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine?
The InChIKey is ZGYRGRPALXURFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-11-15(12-7-3-2-4-8-12)16(18)22(21-11)17-19-13-9-5-6-10-14(13)20-17/h2-10H,18H2,1H3,(H,19,20).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine?
1-(1H-benzimidazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine has a molecular weight of 289.34 g/mol, XLogP of 3.31, 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)-3-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 718748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).