5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

C18H14ClF2N3O — CID 9097679

IUPAC5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C18H14ClF2N3O/c1-10-3-4-13(21)9-15(10)22-18(25)16-11(2)23-24(17(16)19)14-7-5-12(20)6-8-14/h3-9H,1-2H3,(H,22,25)
InChIKeyXHNQLXLLHJBYCU-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.67
Rot. Bonds3

About 5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 9097679) has the molecular formula C18H14ClF2N3O and a molecular weight of 361.78 g/mol. Its IUPAC name is 5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
PubChem CID9097679
Molecular FormulaC18H14ClF2N3O
Molecular Weight361.78 g/mol
Exact Mass361.08
IUPAC Name5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C18H14ClF2N3O/c1-10-3-4-13(21)9-15(10)22-18(25)16-11(2)23-24(17(16)19)14-7-5-12(20)6-8-14/h3-9H,1-2H3,(H,22,25)
InChIKeyXHNQLXLLHJBYCU-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
5-chloro-1-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazole-4-carboxamide
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N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide
CID 134016397
5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26017080
5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
CID 51187032
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N-(5-chloro-2-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472297
(E)-N-(5-fluoro-2-methylphenyl)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enamide
CID 7961498
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 29498844
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (CID 9097679) is 5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is Cc1ccc(F)cc1NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is XHNQLXLLHJBYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O/c1-10-3-4-13(21)9-15(10)22-18(25)16-11(2)23-24(17(16)19)14-7-5-12(20)6-8-14/h3-9H,1-2H3,(H,22,25).
What are the key properties of 5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 361.78 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 9097679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).