N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C14H15N5O — CID 78991690

IUPACN-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H15N5O/c1-8-13(9(2)19-18-8)14(20)15-7-12-16-10-5-3-4-6-11(10)17-12/h3-6H,7H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyGUCNPQWFGOXNCE-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.83
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 78991690) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID78991690
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H15N5O/c1-8-13(9(2)19-18-8)14(20)15-7-12-16-10-5-3-4-6-11(10)17-12/h3-6H,7H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyGUCNPQWFGOXNCE-UHFFFAOYSA-N
XLogP1.83
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
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N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
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N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
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(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 78991690) is N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is GUCNPQWFGOXNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8-13(9(2)19-18-8)14(20)15-7-12-16-10-5-3-4-6-11(10)17-12/h3-6H,7H2,1-2H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 78991690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).