N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C21H24F6N4O — CID 52790105

IUPACN-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCC(C)N1CCC[C@@H](CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1
InChIInChI=1S/C21H24F6N4O/c1-13(2)30-8-4-5-14(12-30)10-28-19(32)17-11-29-31(18(17)21(25,26)27)16-7-3-6-15(9-16)20(22,23)24/h3,6-7,9,11,13-14H,4-5,8,10,12H2,1-2H3,(H,28,32)/t14-/m0/s1
InChIKeyJALYRGWJFKKHLB-AWEZNQCLSA-N
MW462.44 g/mol
LogP4.76
Rot. Bonds5

About N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 52790105) has the molecular formula C21H24F6N4O and a molecular weight of 462.44 g/mol. Its IUPAC name is N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID52790105
Molecular FormulaC21H24F6N4O
Molecular Weight462.44 g/mol
Exact Mass462.19
IUPAC NameN-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCC(C)N1CCC[C@@H](CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1
InChIInChI=1S/C21H24F6N4O/c1-13(2)30-8-4-5-14(12-30)10-28-19(32)17-11-29-31(18(17)21(25,26)27)16-7-3-6-15(9-16)20(22,23)24/h3,6-7,9,11,13-14H,4-5,8,10,12H2,1-2H3,(H,28,32)/t14-/m0/s1
InChIKeyJALYRGWJFKKHLB-AWEZNQCLSA-N
XLogP4.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide 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-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 95247386
1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 52510251
N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 37036339
propan-2-yl 2-[[5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]acetate
CID 56543628
N-benzyl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25470234
N-[2-(N-methylanilino)propyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55715045
tert-butyl N-[2-[[5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 52778135
5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119460053
N-[(2,5-dimethylfuran-3-yl)methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 86950315
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60598298
N-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 33159882
1-(3-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46419340

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 52790105) is N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is CC(C)N1CCC[C@@H](CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1.
What is the InChIKey of N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is JALYRGWJFKKHLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24F6N4O/c1-13(2)30-8-4-5-14(12-30)10-28-19(32)17-11-29-31(18(17)21(25,26)27)16-7-3-6-15(9-16)20(22,23)24/h3,6-7,9,11,13-14H,4-5,8,10,12H2,1-2H3,(H,28,32)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 462.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 52790105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).