1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine

C13H17N3O2S — CID 98022597

IUPAC1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cc(N)nn2C)cc1
InChIInChI=1S/C13H17N3O2S/c1-9(2)19(17,18)11-6-4-10(5-7-11)12-8-13(14)15-16(12)3/h4-9H,1-3H3,(H2,14,15)
InChIKeyCIGJQMGALUEWSM-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.85
Rot. Bonds3

About 1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine

1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine (PubChem CID 98022597) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine
PubChem CID98022597
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cc(N)nn2C)cc1
InChIInChI=1S/C13H17N3O2S/c1-9(2)19(17,18)11-6-4-10(5-7-11)12-8-13(14)15-16(12)3/h4-9H,1-3H3,(H2,14,15)
InChIKeyCIGJQMGALUEWSM-UHFFFAOYSA-N
XLogP1.85
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine (CID 98022597) is 1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine is CC(C)S(=O)(=O)c1ccc(-c2cc(N)nn2C)cc1.
What is the InChIKey of 1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine?
The InChIKey is CIGJQMGALUEWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(2)19(17,18)11-6-4-10(5-7-11)12-8-13(14)15-16(12)3/h4-9H,1-3H3,(H2,14,15).
What are the key properties of 1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine?
1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine has a molecular weight of 279.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-propan-2-ylsulfonylphenyl)pyrazol-3-amine is sourced from PubChem (CID 98022597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).