5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine

C17H17N3O2S — CID 2410974

IUPAC5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine
SMILESCc1ccc(S(=O)(=O)c2ccc(-n3nc(C)cc3N)cc2)cc1
InChIInChI=1S/C17H17N3O2S/c1-12-3-7-15(8-4-12)23(21,22)16-9-5-14(6-10-16)20-17(18)11-13(2)19-20/h3-11H,18H2,1-2H3
InChIKeyJCQAYZADEKMLSP-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.90
Rot. Bonds3

About 5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine

5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine (PubChem CID 2410974) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine
PubChem CID2410974
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine
SMILESCc1ccc(S(=O)(=O)c2ccc(-n3nc(C)cc3N)cc2)cc1
InChIInChI=1S/C17H17N3O2S/c1-12-3-7-15(8-4-12)23(21,22)16-9-5-14(6-10-16)20-17(18)11-13(2)19-20/h3-11H,18H2,1-2H3
InChIKeyJCQAYZADEKMLSP-UHFFFAOYSA-N
XLogP2.90
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine (CID 2410974) is 5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine is Cc1ccc(S(=O)(=O)c2ccc(-n3nc(C)cc3N)cc2)cc1.
What is the InChIKey of 5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine?
The InChIKey is JCQAYZADEKMLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-3-7-15(8-4-12)23(21,22)16-9-5-14(6-10-16)20-17(18)11-13(2)19-20/h3-11H,18H2,1-2H3.
What are the key properties of 5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine?
5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine has a molecular weight of 327.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]pyrazol-3-amine is sourced from PubChem (CID 2410974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).