N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide

C20H25F3N4O — CID 172933883

IUPACN,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nn1C
InChIInChI=1S/C20H25F3N4O/c1-14-12-18(24-26(14)3)19(28)25(2)17-8-10-27(11-9-17)13-15-4-6-16(7-5-15)20(21,22)23/h4-7,12,17H,8-11,13H2,1-3H3
InChIKeyIYPSOCSFFLNEGM-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.48
Rot. Bonds4

About N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide

N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 172933883) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID172933883
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC NameN,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nn1C
InChIInChI=1S/C20H25F3N4O/c1-14-12-18(24-26(14)3)19(28)25(2)17-8-10-27(11-9-17)13-15-4-6-16(7-5-15)20(21,22)23/h4-7,12,17H,8-11,13H2,1-3H3
InChIKeyIYPSOCSFFLNEGM-UHFFFAOYSA-N
XLogP3.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-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,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide (CID 172933883) is N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nn1C.
What is the InChIKey of N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is IYPSOCSFFLNEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-14-12-18(24-26(14)3)19(28)25(2)17-8-10-27(11-9-17)13-15-4-6-16(7-5-15)20(21,22)23/h4-7,12,17H,8-11,13H2,1-3H3.
What are the key properties of N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide?
N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172933883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).