1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide

C13H22F2N4O2S — CID 46972405

IUPAC1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)NCC(C)N1CCCC1
InChIInChI=1S/C13H22F2N4O2S/c1-9(18-6-4-5-7-18)8-16-22(20,21)12-10(2)17-19(11(12)3)13(14)15/h9,13,16H,4-8H2,1-3H3
InChIKeyZXPQXXBFZWPCFA-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.66
Rot. Bonds6

About 1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide

1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide (PubChem CID 46972405) has the molecular formula C13H22F2N4O2S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide
PubChem CID46972405
Molecular FormulaC13H22F2N4O2S
Molecular Weight336.41 g/mol
Exact Mass336.14
IUPAC Name1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)NCC(C)N1CCCC1
InChIInChI=1S/C13H22F2N4O2S/c1-9(18-6-4-5-7-18)8-16-22(20,21)12-10(2)17-19(11(12)3)13(14)15/h9,13,16H,4-8H2,1-3H3
InChIKeyZXPQXXBFZWPCFA-UHFFFAOYSA-N
XLogP1.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide 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

N-cyclopentyl-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3235601
1,3,5-trimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 71808089
1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247407
5-(aminomethyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 145905149
N-{(3S*,4R*)-4-isopropyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-pyrrolidinyl}methanesulfonamide
CID 70742820
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8168177
2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8933424
N-cycloheptyl-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19582879
1,5-dimethyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 19614401
1-((1-(Difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperazine
CID 25247678
N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63766393
1-(3,5-Diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 75449755

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide (CID 46972405) is 1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide is Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCC(C)N1CCCC1.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide?
The InChIKey is ZXPQXXBFZWPCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4O2S/c1-9(18-6-4-5-7-18)8-16-22(20,21)12-10(2)17-19(11(12)3)13(14)15/h9,13,16H,4-8H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide?
1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide has a molecular weight of 336.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethyl-N-(2-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 46972405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).