5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

C17H19N5O — CID 136515181

IUPAC5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cccc2nc(CNC(=O)c3cc(C4CC4)[nH]n3)n(C)c12
InChIInChI=1S/C17H19N5O/c1-10-4-3-5-12-16(10)22(2)15(19-12)9-18-17(23)14-8-13(20-21-14)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyHUYBYESJAWEWEW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.41
Rot. Bonds4

About 5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 136515181) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID136515181
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cccc2nc(CNC(=O)c3cc(C4CC4)[nH]n3)n(C)c12
InChIInChI=1S/C17H19N5O/c1-10-4-3-5-12-16(10)22(2)15(19-12)9-18-17(23)14-8-13(20-21-14)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyHUYBYESJAWEWEW-UHFFFAOYSA-N
XLogP2.41
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide 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 5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 136515181) is 5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1cccc2nc(CNC(=O)c3cc(C4CC4)[nH]n3)n(C)c12.
What is the InChIKey of 5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HUYBYESJAWEWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-10-4-3-5-12-16(10)22(2)15(19-12)9-18-17(23)14-8-13(20-21-14)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,18,23)(H,20,21).
What are the key properties of 5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 136515181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).