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

C21H27F3N4O — CID 172892283

IUPACN,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1C
InChIInChI=1S/C21H27F3N4O/c1-15-11-19(25-27(15)3)20(29)26(2)13-16-7-9-28(10-8-16)14-17-5-4-6-18(12-17)21(22,23)24/h4-6,11-12,16H,7-10,13-14H2,1-3H3
InChIKeyHDHCHIMKNCHWMV-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.73
Rot. Bonds5

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

N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide (PubChem CID 172892283) has the molecular formula C21H27F3N4O and a molecular weight of 408.47 g/mol. Its IUPAC name is N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
PubChem CID172892283
Molecular FormulaC21H27F3N4O
Molecular Weight408.47 g/mol
Exact Mass408.21
IUPAC NameN,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1C
InChIInChI=1S/C21H27F3N4O/c1-15-11-19(25-27(15)3)20(29)26(2)13-16-7-9-28(10-8-16)14-17-5-4-6-18(12-17)21(22,23)24/h4-6,11-12,16H,7-10,13-14H2,1-3H3
InChIKeyHDHCHIMKNCHWMV-UHFFFAOYSA-N
XLogP3.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 172933883
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172899868
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide
CID 25455152
N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide
CID 176930854
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172933852
N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
CID 42346526
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892168
N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42328322
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 110246246
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358800

Frequently Asked Questions

What is the IUPAC name of N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide (CID 172892283) is N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1C.
What is the InChIKey of N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is HDHCHIMKNCHWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O/c1-15-11-19(25-27(15)3)20(29)26(2)13-16-7-9-28(10-8-16)14-17-5-4-6-18(12-17)21(22,23)24/h4-6,11-12,16H,7-10,13-14H2,1-3H3.
What are the key properties of N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide?
N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 3.73, 5 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-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 172892283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).