5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole

C15H19N3O2S — CID 171752006

IUPAC5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n[nH]1
InChIInChI=1S/C15H19N3O2S/c1-11-5-6-13(14-9-12(2)16-17-14)10-15(11)21(19,20)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyKCTFHHMZBDNJDR-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.48
Rot. Bonds3

About 5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole

5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole (PubChem CID 171752006) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole
PubChem CID171752006
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n[nH]1
InChIInChI=1S/C15H19N3O2S/c1-11-5-6-13(14-9-12(2)16-17-14)10-15(11)21(19,20)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyKCTFHHMZBDNJDR-UHFFFAOYSA-N
XLogP2.48
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]indoline hydrochloride
CID 6602882
4-(2-methyl-5-(5-neopentyl-1H-pyrazol-3-yl)phenylsulfonyl)morpholine
CID 44591241
4-(5-(5-(cyclohexylmethyl)-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591350
4-(5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591351
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 50792315
N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide
CID 155561853
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)indoline
CID 866895
3-({4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl}sulfonyl)benzonitrile
CID 71839616
4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 110270738
4-Methyl-3-[1-(2-methylbenzenesulfonyl)pyrrolidin-3-YL]-2H-pyrazole
CID 118740238
1-(2-Methylbenzenesulfonyl)-2-(2H-pyrazol-3-YL)piperidine
CID 118741478
3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 4050168

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole?
The IUPAC name of 5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole (CID 171752006) is 5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole?
The canonical SMILES for 5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole is Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n[nH]1.
What is the InChIKey of 5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole?
The InChIKey is KCTFHHMZBDNJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-5-6-13(14-9-12(2)16-17-14)10-15(11)21(19,20)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole?
5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole has a molecular weight of 305.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole is sourced from PubChem (CID 171752006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).