3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide

C14H13N5O — CID 155948039

IUPAC3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cccc(-n3ccnc3)c2)cn1
InChIInChI=1S/C14H13N5O/c1-18-9-12(8-16-18)17-14(20)11-3-2-4-13(7-11)19-6-5-15-10-19/h2-10H,1H3,(H,17,20)
InChIKeyVVIRWZCVCIJUOB-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.86
Rot. Bonds3

About 3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide

3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 155948039) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID155948039
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cccc(-n3ccnc3)c2)cn1
InChIInChI=1S/C14H13N5O/c1-18-9-12(8-16-18)17-14(20)11-3-2-4-13(7-11)19-6-5-15-10-19/h2-10H,1H3,(H,17,20)
InChIKeyVVIRWZCVCIJUOB-UHFFFAOYSA-N
XLogP1.86
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
CID 99532175
1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide
CID 110471452
N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
CID 111425601
N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide
CID 118061569
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
3-(3-aminoprop-1-ynyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 60822281
3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide
CID 99819921
3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide
CID 58945722
N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide
CID 110471581
6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 103337237
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
CID 17466747
3-(4-hydroxybut-1-ynyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 60817007

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide (CID 155948039) is 3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2cccc(-n3ccnc3)c2)cn1.
What is the InChIKey of 3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is VVIRWZCVCIJUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-18-9-12(8-16-18)17-14(20)11-3-2-4-13(7-11)19-6-5-15-10-19/h2-10H,1H3,(H,17,20).
What are the key properties of 3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide?
3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 267.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 155948039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).