N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide

C13H11N5O — CID 60967253

IUPACN-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)c1cn[nH]c1
InChIInChI=1S/C13H11N5O/c19-13(10-7-15-16-8-10)17-11-3-1-2-4-12(11)18-6-5-14-9-18/h1-9H,(H,15,16)(H,17,19)
InChIKeyYCEWDNMGDHYXDB-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.85
Rot. Bonds3

About N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide

N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 60967253) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID60967253
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)c1cn[nH]c1
InChIInChI=1S/C13H11N5O/c19-13(10-7-15-16-8-10)17-11-3-1-2-4-12(11)18-6-5-14-9-18/h1-9H,(H,15,16)(H,17,19)
InChIKeyYCEWDNMGDHYXDB-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

N-(2-imidazol-1-ylphenyl)-4-methylbenzamide
CID 12911544
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CID 81228247
N-(6-imidazol-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60965851
N-(2-imidazol-1-ylphenyl)-2-methoxybenzamide
CID 12911562
N-(2-aminophenyl)-1H-pyrazole-4-carboxamide
CID 43600055
N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide
CID 81257478
5-chloro-N-(2-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 47165423
N-(2-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532862
N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 100904519
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide (CID 60967253) is N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide is O=C(Nc1ccccc1-n1ccnc1)c1cn[nH]c1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is YCEWDNMGDHYXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c19-13(10-7-15-16-8-10)17-11-3-1-2-4-12(11)18-6-5-14-9-18/h1-9H,(H,15,16)(H,17,19).
What are the key properties of N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide?
N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide 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-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60967253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).