N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C19H23F3N4O3S — CID 24895440

IUPACN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C19H23F3N4O3S/c1-3-14-6-4-5-11-26(14)30(28,29)15-9-7-13(8-10-15)23-18(27)16-12-17(19(20,21)22)24-25(16)2/h7-10,12,14H,3-6,11H2,1-2H3,(H,23,27)
InChIKeyDHCXGXAMIJPTKP-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.64
Rot. Bonds5

About N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 24895440) has the molecular formula C19H23F3N4O3S and a molecular weight of 444.48 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID24895440
Molecular FormulaC19H23F3N4O3S
Molecular Weight444.48 g/mol
Exact Mass444.14
IUPAC NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C19H23F3N4O3S/c1-3-14-6-4-5-11-26(14)30(28,29)15-9-7-13(8-10-15)23-18(27)16-12-17(19(20,21)22)24-25(16)2/h7-10,12,14H,3-6,11H2,1-2H3,(H,23,27)
InChIKeyDHCXGXAMIJPTKP-UHFFFAOYSA-N
XLogP3.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-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 N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 24895440) is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1.
What is the InChIKey of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is DHCXGXAMIJPTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3S/c1-3-14-6-4-5-11-26(14)30(28,29)15-9-7-13(8-10-15)23-18(27)16-12-17(19(20,21)22)24-25(16)2/h7-10,12,14H,3-6,11H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 24895440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).