N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide

C16H12ClN3O — CID 18870920

IUPACN-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H12ClN3O/c17-12-6-8-13(9-7-12)18-16(21)15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H,18,21)(H,19,20)
InChIKeyHAUXSRXNKJKKSG-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.98
Rot. Bonds3

About N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 18870920) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID18870920
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC NameN-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H12ClN3O/c17-12-6-8-13(9-7-12)18-16(21)15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H,18,21)(H,19,20)
InChIKeyHAUXSRXNKJKKSG-UHFFFAOYSA-N
XLogP3.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-Pyrazole-3-carboxamide
CID 66844170
N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-Phenyl-1H-indazole-3-carboxamide
CID 9341021
N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
CID 2747052
N-Acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 25157884
3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
N-(4-chlorophenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 6625210
N-(3-methylphenyl)-1H-indazole-3-carboxamide
CID 1505876
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carbohydrazide
CID 10982154
4-chloro-5-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-3-carboxamide
CID 11326315
2-(4-chlorophenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)phthalazin-1(2H)-one
CID 11617275

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 18870920) is N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is HAUXSRXNKJKKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-12-6-8-13(9-7-12)18-16(21)15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H,18,21)(H,19,20).
What are the key properties of N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 18870920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).