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

C18H15F2N3O — CID 46583862

IUPACN-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C18H15F2N3O/c1-11-3-4-14(20)9-17(11)22-18(24)16-10-21-23(12(16)2)15-7-5-13(19)6-8-15/h3-10H,1-2H3,(H,22,24)
InChIKeyMKWKCBSIROWCOX-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.02
Rot. Bonds3

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

N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 46583862) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID46583862
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC NameN-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C18H15F2N3O/c1-11-3-4-14(20)9-17(11)22-18(24)16-10-21-23(12(16)2)15-7-5-13(19)6-8-15/h3-10H,1-2H3,(H,22,24)
InChIKeyMKWKCBSIROWCOX-UHFFFAOYSA-N
XLogP4.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 86919857
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 136577209
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
1-(4-fluorophenyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255298
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 134005041
1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 31814622
1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 37079580
5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9097679
5-methyl-1-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylic acid
CID 167787588
N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 1225270
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 46583862) is N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1ccc(F)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is MKWKCBSIROWCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-11-3-4-14(20)9-17(11)22-18(24)16-10-21-23(12(16)2)15-7-5-13(19)6-8-15/h3-10H,1-2H3,(H,22,24).
What are the key properties of N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 46583862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).