5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide

C19H22N6O2 — CID 56745517

IUPAC5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
SMILESCCCN1CC(NC(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)CC1=O
InChIInChI=1S/C19H22N6O2/c1-2-7-24-10-13(9-18(24)26)21-19(27)16-8-14(22-23-16)11-25-12-20-15-5-3-4-6-17(15)25/h3-6,8,12-13H,2,7,9-11H2,1H3,(H,21,27)(H,22,23)
InChIKeyLLMWJQABYFZAAM-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.55
Rot. Bonds6

About 5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide (PubChem CID 56745517) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
PubChem CID56745517
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
SMILESCCCN1CC(NC(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)CC1=O
InChIInChI=1S/C19H22N6O2/c1-2-7-24-10-13(9-18(24)26)21-19(27)16-8-14(22-23-16)11-25-12-20-15-5-3-4-6-17(15)25/h3-6,8,12-13H,2,7,9-11H2,1H3,(H,21,27)(H,22,23)
InChIKeyLLMWJQABYFZAAM-UHFFFAOYSA-N
XLogP1.55
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-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

Related Compounds

5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 56757095
5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56750239
5-(benzimidazol-1-ylmethyl)-N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-3-carboxamide
CID 56754049
5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56740184
5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide
CID 95201785
5-(benzimidazol-1-ylmethyl)-N-ethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95221587
5-(benzimidazol-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 42520590
5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide
CID 26396678
3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 136772131
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 56910590
4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide
CID 136776065
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-(benzimidazol-1-ylmethyl)-1H-pyrazol-3-yl]methanone
CID 45190716

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide (CID 56745517) is 5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide is CCCN1CC(NC(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)CC1=O.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is LLMWJQABYFZAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-2-7-24-10-13(9-18(24)26)21-19(27)16-8-14(22-23-16)11-25-12-20-15-5-3-4-6-17(15)25/h3-6,8,12-13H,2,7,9-11H2,1H3,(H,21,27)(H,22,23).
What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56745517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).