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

C18H27F3N4O2 — CID 166301564

IUPAC5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCOC1(C(F)(F)F)CC(CN2CCCCC2c2[nH]ncc2C(=O)N(C)C)C1
InChIInChI=1S/C18H27F3N4O2/c1-24(2)16(26)13-10-22-23-15(13)14-6-4-5-7-25(14)11-12-8-17(9-12,27-3)18(19,20)21/h10,12,14H,4-9,11H2,1-3H3,(H,22,23)
InChIKeyDITMSGLBIYWPSF-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.00
Rot. Bonds5

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

5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 166301564) has the molecular formula C18H27F3N4O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID166301564
Molecular FormulaC18H27F3N4O2
Molecular Weight388.43 g/mol
Exact Mass388.21
IUPAC Name5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCOC1(C(F)(F)F)CC(CN2CCCCC2c2[nH]ncc2C(=O)N(C)C)C1
InChIInChI=1S/C18H27F3N4O2/c1-24(2)16(26)13-10-22-23-15(13)14-6-4-5-7-25(14)11-12-8-17(9-12,27-3)18(19,20)21/h10,12,14H,4-9,11H2,1-3H3,(H,22,23)
InChIKeyDITMSGLBIYWPSF-UHFFFAOYSA-N
XLogP3.00
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 166276294
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
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124998845
2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 73439874
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-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 154753686
5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 125007017
5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 154756104
4-methoxy-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 128837911

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 166301564) is 5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is COC1(C(F)(F)F)CC(CN2CCCCC2c2[nH]ncc2C(=O)N(C)C)C1.
What is the InChIKey of 5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is DITMSGLBIYWPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N4O2/c1-24(2)16(26)13-10-22-23-15(13)14-6-4-5-7-25(14)11-12-8-17(9-12,27-3)18(19,20)21/h10,12,14H,4-9,11H2,1-3H3,(H,22,23).
What are the key properties of 5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166301564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).