N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide

C19H17N5O — CID 166220607

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cn(-c2ccccc2)nc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H17N5O/c1-13-12-24(14-7-3-2-4-8-14)23-18(13)19(25)20-11-17-21-15-9-5-6-10-16(15)22-17/h2-10,12H,11H2,1H3,(H,20,25)(H,21,22)
InChIKeyCERXFKJNRUFOTM-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.99
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 166220607) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID166220607
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cn(-c2ccccc2)nc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H17N5O/c1-13-12-24(14-7-3-2-4-8-14)23-18(13)19(25)20-11-17-21-15-9-5-6-10-16(15)22-17/h2-10,12H,11H2,1H3,(H,20,25)(H,21,22)
InChIKeyCERXFKJNRUFOTM-UHFFFAOYSA-N
XLogP2.99
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide (CID 166220607) is N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide is Cc1cn(-c2ccccc2)nc1C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is CERXFKJNRUFOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-12-24(14-7-3-2-4-8-14)23-18(13)19(25)20-11-17-21-15-9-5-6-10-16(15)22-17/h2-10,12H,11H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 166220607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).