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

C19H21N3O2S — CID 2411018

IUPAC5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine
SMILESCc1cc(N)n(-c2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)n1
InChIInChI=1S/C19H21N3O2S/c1-13(2)15-4-8-17(9-5-15)25(23,24)18-10-6-16(7-11-18)22-19(20)12-14(3)21-22/h4-13H,20H2,1-3H3
InChIKeyLWTOBJGUZAYEAH-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.72
Rot. Bonds4

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

5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine (PubChem CID 2411018) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine
PubChem CID2411018
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine
SMILESCc1cc(N)n(-c2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)n1
InChIInChI=1S/C19H21N3O2S/c1-13(2)15-4-8-17(9-5-15)25(23,24)18-10-6-16(7-11-18)22-19(20)12-14(3)21-22/h4-13H,20H2,1-3H3
InChIKeyLWTOBJGUZAYEAH-UHFFFAOYSA-N
XLogP3.72
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.72
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-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine (CID 2411018) is 5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine is Cc1cc(N)n(-c2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)n1.
What is the InChIKey of 5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine?
The InChIKey is LWTOBJGUZAYEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13(2)15-4-8-17(9-5-15)25(23,24)18-10-6-16(7-11-18)22-19(20)12-14(3)21-22/h4-13H,20H2,1-3H3.
What are the key properties of 5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine?
5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine has a molecular weight of 355.46 g/mol, XLogP of 3.72, 4 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-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine is sourced from PubChem (CID 2411018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).