1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide

C21H30N4O3S — CID 6622645

IUPAC1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C21H30N4O3S/c1-15(2)18-8-10-19(11-9-18)25(14-20(26)24-12-6-7-13-24)29(27,28)21-16(3)22-23(5)17(21)4/h8-11,15H,6-7,12-14H2,1-5H3
InChIKeyMSFCANMMHVCYPJ-UHFFFAOYSA-N
MW418.56 g/mol
LogP2.98
Rot. Bonds6

About 1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide (PubChem CID 6622645) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
PubChem CID6622645
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC Name1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C21H30N4O3S/c1-15(2)18-8-10-19(11-9-18)25(14-20(26)24-12-6-7-13-24)29(27,28)21-16(3)22-23(5)17(21)4/h8-11,15H,6-7,12-14H2,1-5H3
InChIKeyMSFCANMMHVCYPJ-UHFFFAOYSA-N
XLogP2.98
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)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

CID 2559924
CID 2559924
CID 1503610
CID 1503610
CID 3244073
CID 3244073
CID 5309115
CID 5309115
CID 9550907
CID 9550907
CID 9551544
CID 9551544
CID 16009277
CID 16009277
CID 16027727
CID 16027727
CID 20855710
CID 20855710
CID 20858730
CID 20858730
CID 2558400
CID 2558400
CID 4787528
CID 4787528

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide (CID 6622645) is 1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(C(C)C)cc1.
What is the InChIKey of 1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The InChIKey is MSFCANMMHVCYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-15(2)18-8-10-19(11-9-18)25(14-20(26)24-12-6-7-13-24)29(27,28)21-16(3)22-23(5)17(21)4/h8-11,15H,6-7,12-14H2,1-5H3.
What are the key properties of 1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide has a molecular weight of 418.56 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 6622645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).