N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide

C17H15N3O3S — CID 141001771

IUPACN-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C17H15N3O3S/c1-24(22,23)16-5-3-2-4-14(16)12-6-8-13(9-7-12)19-17(21)15-10-11-18-20-15/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyXFDSFNKBGKVHSY-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.73
Rot. Bonds4

About N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide

N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 141001771) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID141001771
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C17H15N3O3S/c1-24(22,23)16-5-3-2-4-14(16)12-6-8-13(9-7-12)19-17(21)15-10-11-18-20-15/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyXFDSFNKBGKVHSY-UHFFFAOYSA-N
XLogP2.73
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide (CID 141001771) is N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide is CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XFDSFNKBGKVHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-24(22,23)16-5-3-2-4-14(16)12-6-8-13(9-7-12)19-17(21)15-10-11-18-20-15/h2-11H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide?
N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfonylphenyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 141001771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).