N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide

C17H25F3N4O — CID 166276294

IUPACN,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCCN1CC1CC(C(F)(F)F)C1
InChIInChI=1S/C17H25F3N4O/c1-23(2)16(25)13-9-21-22-15(13)14-5-3-4-6-24(14)10-11-7-12(8-11)17(18,19)20/h9,11-12,14H,3-8,10H2,1-2H3,(H,21,22)
InChIKeyJPWYVBNMFZLJBO-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.23
Rot. Bonds4

About N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide

N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 166276294) has the molecular formula C17H25F3N4O and a molecular weight of 358.41 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID166276294
Molecular FormulaC17H25F3N4O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC NameN,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCCN1CC1CC(C(F)(F)F)C1
InChIInChI=1S/C17H25F3N4O/c1-23(2)16(25)13-9-21-22-15(13)14-5-3-4-6-24(14)10-11-7-12(8-11)17(18,19)20/h9,11-12,14H,3-8,10H2,1-2H3,(H,21,22)
InChIKeyJPWYVBNMFZLJBO-UHFFFAOYSA-N
XLogP3.23
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 166301564
5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 166229602
N,N-dimethyl-5-[1-(2-phenylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110250337
2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 73439874
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124998845
5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110088094
5-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259110
N-benzyl-5-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110088134
5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 154756104
5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 125007017
5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 154753686
2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 124978760

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide (CID 166276294) is N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1C1CCCCN1CC1CC(C(F)(F)F)C1.
What is the InChIKey of N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is JPWYVBNMFZLJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O/c1-23(2)16(25)13-9-21-22-15(13)14-5-3-4-6-24(14)10-11-7-12(8-11)17(18,19)20/h9,11-12,14H,3-8,10H2,1-2H3,(H,21,22).
What are the key properties of N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166276294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).