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

C16H11ClFN3O — CID 118716750

IUPACN-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H11ClFN3O/c17-12-7-6-11(8-13(12)18)19-16(22)15-9-14(20-21-15)10-4-2-1-3-5-10/h1-9H,(H,19,22)(H,20,21)
InChIKeyVEVADZKQQBEBFU-UHFFFAOYSA-N
MW315.74 g/mol
LogP4.12
Rot. Bonds3

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

N-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 118716750) has the molecular formula C16H11ClFN3O and a molecular weight of 315.74 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID118716750
Molecular FormulaC16H11ClFN3O
Molecular Weight315.74 g/mol
Exact Mass315.06
IUPAC NameN-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H11ClFN3O/c17-12-7-6-11(8-13(12)18)19-16(22)15-9-14(20-21-15)10-4-2-1-3-5-10/h1-9H,(H,19,22)(H,20,21)
InChIKeyVEVADZKQQBEBFU-UHFFFAOYSA-N
XLogP4.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
4-chloro-N-[(E)-1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-2,5-dimethylpyrazole-3-carboxamide
CID 5433155
5-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659603
N-(2-Chloro-4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 16659761
5-(4-chlorophenyl)-N-[(Z)-octadec-9-enyl]-1-phenylpyrazole-3-carboxamide
CID 24896636
1,5-bis(4-chlorophenyl)-N-[(Z)-octadec-9-enyl]pyrazole-3-carboxamide
CID 25147743
5-Methylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86232780
4-Butylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86619651
6-Chloro-3-(5-methyl-2H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one
CID 135489124

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 118716750) is N-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Cl)c(F)c1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is VEVADZKQQBEBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O/c17-12-7-6-11(8-13(12)18)19-16(22)15-9-14(20-21-15)10-4-2-1-3-5-10/h1-9H,(H,19,22)(H,20,21).
What are the key properties of N-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 315.74 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118716750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).