3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine

C15H21N3O2S — CID 83204801

IUPAC3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H21N3O2S/c1-4-12(5-2)18-10-14(16)15(17-18)11-6-8-13(9-7-11)21(3,19)20/h6-10,12H,4-5,16H2,1-3H3
InChIKeyFQFYUFFSGOMRCW-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.90
Rot. Bonds5

About 3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine

3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine (PubChem CID 83204801) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine
PubChem CID83204801
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H21N3O2S/c1-4-12(5-2)18-10-14(16)15(17-18)11-6-8-13(9-7-11)21(3,19)20/h6-10,12H,4-5,16H2,1-3H3
InChIKeyFQFYUFFSGOMRCW-UHFFFAOYSA-N
XLogP2.90
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine?
The IUPAC name of 3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine (CID 83204801) is 3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine is CCC(CC)n1cc(N)c(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine?
The InChIKey is FQFYUFFSGOMRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-12(5-2)18-10-14(16)15(17-18)11-6-8-13(9-7-11)21(3,19)20/h6-10,12H,4-5,16H2,1-3H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine?
3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine has a molecular weight of 307.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-1-pentan-3-ylpyrazol-4-amine is sourced from PubChem (CID 83204801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).