5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide

C17H21N5O — CID 78862508

IUPAC5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCCCn2c(C)nc3ccccc32)n[nH]1
InChIInChI=1S/C17H21N5O/c1-3-13-11-15(21-20-13)17(23)18-9-6-10-22-12(2)19-14-7-4-5-8-16(14)22/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyHBJXVWAZPAVXNP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.45
Rot. Bonds6

About 5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide

5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide (PubChem CID 78862508) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
PubChem CID78862508
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCCCn2c(C)nc3ccccc32)n[nH]1
InChIInChI=1S/C17H21N5O/c1-3-13-11-15(21-20-13)17(23)18-9-6-10-22-12(2)19-14-7-4-5-8-16(14)22/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyHBJXVWAZPAVXNP-UHFFFAOYSA-N
XLogP2.45
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 39459014
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 37263896
4,5-dichloro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78839389
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962
5-(furan-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 110309358
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 51122866
2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide
CID 134036923

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide (CID 78862508) is 5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCCCn2c(C)nc3ccccc32)n[nH]1.
What is the InChIKey of 5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HBJXVWAZPAVXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-3-13-11-15(21-20-13)17(23)18-9-6-10-22-12(2)19-14-7-4-5-8-16(14)22/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,23)(H,20,21).
What are the key properties of 5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78862508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).