N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

C23H29N3O3S — CID 3350143

IUPACN-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCCC(CC)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccc(C)cc1
InChIInChI=1S/C23H29N3O3S/c1-5-17(6-2)23(27)26-22(19-9-7-16(3)8-10-19)15-21(24-26)18-11-13-20(14-12-18)25-30(4,28)29/h7-14,17,22,25H,5-6,15H2,1-4H3
InChIKeyCXLXVFJURMERQX-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.48
Rot. Bonds7

About N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 3350143) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID3350143
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCCC(CC)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccc(C)cc1
InChIInChI=1S/C23H29N3O3S/c1-5-17(6-2)23(27)26-22(19-9-7-16(3)8-10-19)15-21(24-26)18-11-13-20(14-12-18)25-30(4,28)29/h7-14,17,22,25H,5-6,15H2,1-4H3
InChIKeyCXLXVFJURMERQX-UHFFFAOYSA-N
XLogP4.48
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 3350143) is N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is CCC(CC)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccc(C)cc1.
What is the InChIKey of N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is CXLXVFJURMERQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-5-17(6-2)23(27)26-22(19-9-7-16(3)8-10-19)15-21(24-26)18-11-13-20(14-12-18)25-30(4,28)29/h7-14,17,22,25H,5-6,15H2,1-4H3.
What are the key properties of N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 427.57 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-ethylbutanoyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3350143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).