N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide

C22H29F3N6O3S — CID 135375837

IUPACN-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCN(c1cnn(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3N3CCCC3)CC2)c1)S(C)(=O)=O
InChIInChI=1S/C22H29F3N6O3S/c1-27(35(2,33)34)19-14-26-31(16-19)21(32)30-11-9-28(10-12-30)15-17-5-6-18(22(23,24)25)13-20(17)29-7-3-4-8-29/h5-6,13-14,16H,3-4,7-12,15H2,1-2H3
InChIKeyZBZYFGRLZFZNEF-UHFFFAOYSA-N
MW514.57 g/mol
LogP2.68
Rot. Bonds5

About N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide

N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide (PubChem CID 135375837) has the molecular formula C22H29F3N6O3S and a molecular weight of 514.57 g/mol. Its IUPAC name is N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
PubChem CID135375837
Molecular FormulaC22H29F3N6O3S
Molecular Weight514.57 g/mol
Exact Mass514.20
IUPAC NameN-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCN(c1cnn(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3N3CCCC3)CC2)c1)S(C)(=O)=O
InChIInChI=1S/C22H29F3N6O3S/c1-27(35(2,33)34)19-14-26-31(16-19)21(32)30-11-9-28(10-12-30)15-17-5-6-18(22(23,24)25)13-20(17)29-7-3-4-8-29/h5-6,13-14,16H,3-4,7-12,15H2,1-2H3
InChIKeyZBZYFGRLZFZNEF-UHFFFAOYSA-N
XLogP2.68
TPSA81.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.57
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide 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

US10323038, Example 191
CID 135375584
US10323038, Example 279
CID 135375595
US10323038, Example 198
CID 135375596
US10323038, Example 26
CID 135375656
US10323038, Example 130
CID 135375773
US10323038, Example 2
CID 135375798
US10323038, Example 292
CID 135375873
US10323038, Example 217
CID 135375886
US10323038, Example 190
CID 135375892
US10323038, Example 61
CID 135375913
US10323038, Example 209
CID 135375983
US10323038, Example 124
CID 135375986

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide (CID 135375837) is N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide is CN(c1cnn(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3N3CCCC3)CC2)c1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
The InChIKey is ZBZYFGRLZFZNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N6O3S/c1-27(35(2,33)34)19-14-26-31(16-19)21(32)30-11-9-28(10-12-30)15-17-5-6-18(22(23,24)25)13-20(17)29-7-3-4-8-29/h5-6,13-14,16H,3-4,7-12,15H2,1-2H3.
What are the key properties of N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide has a molecular weight of 514.57 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 135375837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).