1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine

C14H19N3O2S — CID 83217262

IUPAC1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine
SMILESCC(C)Cn1cc(N)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H19N3O2S/c1-10(2)8-17-9-13(15)14(16-17)11-4-6-12(7-5-11)20(3,18)19/h4-7,9-10H,8,15H2,1-3H3
InChIKeyGAAKSUNGKSUGAL-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.19
Rot. Bonds4

About 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine

1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine (PubChem CID 83217262) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine
PubChem CID83217262
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine
SMILESCC(C)Cn1cc(N)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H19N3O2S/c1-10(2)8-17-9-13(15)14(16-17)11-4-6-12(7-5-11)20(3,18)19/h4-7,9-10H,8,15H2,1-3H3
InChIKeyGAAKSUNGKSUGAL-UHFFFAOYSA-N
XLogP2.19
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine?
The IUPAC name of 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine (CID 83217262) is 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine is CC(C)Cn1cc(N)c(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine?
The InChIKey is GAAKSUNGKSUGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(2)8-17-9-13(15)14(16-17)11-4-6-12(7-5-11)20(3,18)19/h4-7,9-10H,8,15H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine?
1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine has a molecular weight of 293.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(4-methylsulfonylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83217262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).