5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide

C17H23N3O3S — CID 71998560

IUPAC5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)n[nH]1
InChIInChI=1S/C17H23N3O3S/c1-12(2)10-14-11-16(20-19-14)17(21)18-9-8-13-4-6-15(7-5-13)24(3,22)23/h4-7,11-12H,8-10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyFSPVWXHIICFWHL-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.98
Rot. Bonds7

About 5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide

5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 71998560) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID71998560
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)n[nH]1
InChIInChI=1S/C17H23N3O3S/c1-12(2)10-14-11-16(20-19-14)17(21)18-9-8-13-4-6-15(7-5-13)24(3,22)23/h4-7,11-12H,8-10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyFSPVWXHIICFWHL-UHFFFAOYSA-N
XLogP1.98
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide 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 5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide (CID 71998560) is 5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)n[nH]1.
What is the InChIKey of 5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FSPVWXHIICFWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12(2)10-14-11-16(20-19-14)17(21)18-9-8-13-4-6-15(7-5-13)24(3,22)23/h4-7,11-12H,8-10H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71998560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).