5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide

C20H19N5OS — CID 56739050

IUPAC5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(Cn2cnc3ccccc32)[nH]n1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C20H19N5OS/c26-20(25(16-5-6-16)10-14-7-8-27-12-14)18-9-15(22-23-18)11-24-13-21-17-3-1-2-4-19(17)24/h1-4,7-9,12-13,16H,5-6,10-11H2,(H,22,23)
InChIKeyULXLVAFRPKPINQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.67
Rot. Bonds6

About 5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56739050) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID56739050
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(Cn2cnc3ccccc32)[nH]n1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C20H19N5OS/c26-20(25(16-5-6-16)10-14-7-8-27-12-14)18-9-15(22-23-18)11-24-13-21-17-3-1-2-4-19(17)24/h1-4,7-9,12-13,16H,5-6,10-11H2,(H,22,23)
InChIKeyULXLVAFRPKPINQ-UHFFFAOYSA-N
XLogP3.67
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56758151
5-(benzimidazol-1-ylmethyl)-N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-3-carboxamide
CID 56754049
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 42197287
5-(benzimidazol-1-ylmethyl)-N-ethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95221587
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-(benzimidazol-1-ylmethyl)-1H-pyrazol-3-yl]methanone
CID 45190716
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 26406476
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95196702
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 72717897
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
N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 61400460
6-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 113346712

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 56739050) is 5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide is O=C(c1cc(Cn2cnc3ccccc32)[nH]n1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ULXLVAFRPKPINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-20(25(16-5-6-16)10-14-7-8-27-12-14)18-9-15(22-23-18)11-24-13-21-17-3-1-2-4-19(17)24/h1-4,7-9,12-13,16H,5-6,10-11H2,(H,22,23).
What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide?
5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56739050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).