N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide

C17H14ClN3O3S — CID 86806955

IUPACN-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCS(=O)(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)c2)ccc1Cl
InChIInChI=1S/C17H14ClN3O3S/c1-25(23,24)16-9-13(7-8-15(16)18)20-17(22)12-10-19-21(11-12)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,22)
InChIKeyASQCSSYPXZSGLI-UHFFFAOYSA-N
MW375.84 g/mol
LogP3.18
Rot. Bonds4

About N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide

N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 86806955) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID86806955
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC NameN-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCS(=O)(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)c2)ccc1Cl
InChIInChI=1S/C17H14ClN3O3S/c1-25(23,24)16-9-13(7-8-15(16)18)20-17(22)12-10-19-21(11-12)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,22)
InChIKeyASQCSSYPXZSGLI-UHFFFAOYSA-N
XLogP3.18
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 26285543
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 29202603
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55839751
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 25436790
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256
4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009371
1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
CID 60529641
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 134029541
1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
CID 43429648

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide (CID 86806955) is N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide is CS(=O)(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)c2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is ASQCSSYPXZSGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-25(23,24)16-9-13(7-8-15(16)18)20-17(22)12-10-19-21(11-12)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,22).
What are the key properties of N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 86806955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).