N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide

C16H10ClF2N3O — CID 46107029

IUPACN-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1F
InChIInChI=1S/C16H10ClF2N3O/c17-10-1-4-12(5-2-10)22-8-7-15(21-22)20-16(23)13-6-3-11(18)9-14(13)19/h1-9H,(H,20,21,23)
InChIKeyRRJNPVZRBUPBQG-UHFFFAOYSA-N
MW333.73 g/mol
LogP4.06
Rot. Bonds3

About N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide

N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide (PubChem CID 46107029) has the molecular formula C16H10ClF2N3O and a molecular weight of 333.73 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide
PubChem CID46107029
Molecular FormulaC16H10ClF2N3O
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC NameN-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1F
InChIInChI=1S/C16H10ClF2N3O/c17-10-1-4-12(5-2-10)22-8-7-15(21-22)20-16(23)13-6-3-11(18)9-14(13)19/h1-9H,(H,20,21,23)
InChIKeyRRJNPVZRBUPBQG-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

2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
CID 47021837
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
CID 116798586
2-N-[1-(4-chlorophenyl)pyrazol-3-yl]pyridine-2,4-dicarboxamide
CID 167891870
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
N'-(4-chlorobenzoyl)-2,4-difluorobenzohydrazide
CID 8961402
5-fluoro-N-(1-phenylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
CID 55537358
2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide
CID 99626160
N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide
CID 2745061
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
CID 46107138
6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide (CID 46107029) is N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide is O=C(Nc1ccn(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide?
The InChIKey is RRJNPVZRBUPBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3O/c17-10-1-4-12(5-2-10)22-8-7-15(21-22)20-16(23)13-6-3-11(18)9-14(13)19/h1-9H,(H,20,21,23).
What are the key properties of N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide?
N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide 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-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 46107029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).