N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide

C18H16FN3O3S — CID 166371653

IUPACN-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1ccc(F)c(S(=O)(=O)NC(=O)c2cc(C)nn2-c2ccccc2)c1
InChIInChI=1S/C18H16FN3O3S/c1-12-8-9-15(19)17(10-12)26(24,25)21-18(23)16-11-13(2)20-22(16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,23)
InChIKeyDPTZCGKWACLFKP-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.75
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide

N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 166371653) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID166371653
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1ccc(F)c(S(=O)(=O)NC(=O)c2cc(C)nn2-c2ccccc2)c1
InChIInChI=1S/C18H16FN3O3S/c1-12-8-9-15(19)17(10-12)26(24,25)21-18(23)16-11-13(2)20-22(16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,23)
InChIKeyDPTZCGKWACLFKP-UHFFFAOYSA-N
XLogP2.75
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685975
N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685957
N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861285
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685989
N'-(2-fluoro-5-methylphenyl)sulfonyl-2-hydroxybenzohydrazide
CID 60532960
N'-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 2476139
2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 75355715
N-(2-fluoro-5-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 36670494
1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 56642816
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide (CID 166371653) is N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide is Cc1ccc(F)c(S(=O)(=O)NC(=O)c2cc(C)nn2-c2ccccc2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is DPTZCGKWACLFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-12-8-9-15(19)17(10-12)26(24,25)21-18(23)16-11-13(2)20-22(16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,23).
What are the key properties of N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide?
N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 166371653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).