N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

C16H10ClF2N3O — CID 38802898

IUPACN-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H10ClF2N3O/c17-12-2-1-3-13(15(12)19)20-16(23)14-8-9-22(21-14)11-6-4-10(18)5-7-11/h1-9H,(H,20,23)
InChIKeyJGGZHHDUTXRGSU-UHFFFAOYSA-N
MW333.73 g/mol
LogP4.06
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 38802898) has the molecular formula C16H10ClF2N3O and a molecular weight of 333.73 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID38802898
Molecular FormulaC16H10ClF2N3O
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC NameN-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H10ClF2N3O/c17-12-2-1-3-13(15(12)19)20-16(23)14-8-9-22(21-14)11-6-4-10(18)5-7-11/h1-9H,(H,20,23)
InChIKeyJGGZHHDUTXRGSU-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38704884
N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651530
1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 43071659
N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532988
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38825065
1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide
CID 97022569
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71086815
1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 38815516
3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64524808
N-(2-hydroxyphenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 60572392
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38735899

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 38802898) is N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is O=C(Nc1cccc(Cl)c1F)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is JGGZHHDUTXRGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3O/c17-12-2-1-3-13(15(12)19)20-16(23)14-8-9-22(21-14)11-6-4-10(18)5-7-11/h1-9H,(H,20,23).
What are the key properties of N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 333.73 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 38802898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).