1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine

C16H15N3O2S — CID 935379

IUPAC1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1
InChIInChI=1S/C16H15N3O2S/c1-12-7-9-14(10-8-12)22(20,21)19-11-15(16(17)18-19)13-5-3-2-4-6-13/h2-11H,1H3,(H2,17,18)
InChIKeySMLVSUHYMGECDU-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.68
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine

1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine (PubChem CID 935379) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine
PubChem CID935379
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1
InChIInChI=1S/C16H15N3O2S/c1-12-7-9-14(10-8-12)22(20,21)19-11-15(16(17)18-19)13-5-3-2-4-6-13/h2-11H,1H3,(H2,17,18)
InChIKeySMLVSUHYMGECDU-UHFFFAOYSA-N
XLogP2.68
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 2992755
1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 972343
4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine
CID 2992359
1-(benzenesulfonyl)-4-ethylpyrazol-3-amine
CID 972867
1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
CID 1259322
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
CID 2980653
3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole
CID 102126932
4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 68743668
1-(4-methylphenyl)sulfonyl-3-phenyl-4-[4-(trifluoromethyl)phenyl]pyrrole
CID 134950378
2-(4-methylphenyl)sulfonyl-5,6-diphenyl-1,3-dihydroisoindole
CID 134951286
1-(4-methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643
5-bromo-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 141325151

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine (CID 935379) is 1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine is Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine?
The InChIKey is SMLVSUHYMGECDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12-7-9-14(10-8-12)22(20,21)19-11-15(16(17)18-19)13-5-3-2-4-6-13/h2-11H,1H3,(H2,17,18).
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine?
1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine has a molecular weight of 313.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine is sourced from PubChem (CID 935379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).