N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide

C13H11N5O — CID 60968230

IUPACN-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ncc[nH]1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H11N5O/c19-12(17-13-14-7-8-15-13)10-2-4-11(5-3-10)18-9-1-6-16-18/h1-9H,(H2,14,15,17,19)
InChIKeyBXNMIGXFMSZUBB-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.85
Rot. Bonds3

About N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide

N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide (PubChem CID 60968230) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide
PubChem CID60968230
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ncc[nH]1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H11N5O/c19-12(17-13-14-7-8-15-13)10-2-4-11(5-3-10)18-9-1-6-16-18/h1-9H,(H2,14,15,17,19)
InChIKeyBXNMIGXFMSZUBB-UHFFFAOYSA-N
XLogP1.85
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide
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4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide
CID 102851678
N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
CID 46813346
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide
CID 83090123
N-(6-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzamide
CID 35505245
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
N-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 43020845
2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 78812019
N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide (CID 60968230) is N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide is O=C(Nc1ncc[nH]1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide?
The InChIKey is BXNMIGXFMSZUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c19-12(17-13-14-7-8-15-13)10-2-4-11(5-3-10)18-9-1-6-16-18/h1-9H,(H2,14,15,17,19).
What are the key properties of N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide?
N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide has a molecular weight of 253.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 60968230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).