N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide

C13H13N5O — CID 47292714

IUPACN-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nc3ccccc3[nH]2)n[nH]1
InChIInChI=1S/C13H13N5O/c1-8-6-11(18-17-8)13(19)14-7-12-15-9-4-2-3-5-10(9)16-12/h2-6H,7H2,1H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyZHONKOYOGBIYRL-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.52
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 47292714) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID47292714
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nc3ccccc3[nH]2)n[nH]1
InChIInChI=1S/C13H13N5O/c1-8-6-11(18-17-8)13(19)14-7-12-15-9-4-2-3-5-10(9)16-12/h2-6H,7H2,1H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyZHONKOYOGBIYRL-UHFFFAOYSA-N
XLogP1.52
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
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N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
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ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
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N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 47292714) is N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)n[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZHONKOYOGBIYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-6-11(18-17-8)13(19)14-7-12-15-9-4-2-3-5-10(9)16-12/h2-6H,7H2,1H3,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.52, 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)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47292714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).