N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H21F3N4O2 — CID 71998433

IUPACN-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)c2cn[nH]c2C)C1
InChIInChI=1S/C15H21F3N4O2/c1-3-21(9-15(16,17)18)13(23)11-5-4-6-22(8-11)14(24)12-7-19-20-10(12)2/h7,11H,3-6,8-9H2,1-2H3,(H,19,20)
InChIKeyZNJZZOAIPQDTEO-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.98
Rot. Bonds4

About N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71998433) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71998433
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)c2cn[nH]c2C)C1
InChIInChI=1S/C15H21F3N4O2/c1-3-21(9-15(16,17)18)13(23)11-5-4-6-22(8-11)14(24)12-7-19-20-10(12)2/h7,11H,3-6,8-9H2,1-2H3,(H,19,20)
InChIKeyZNJZZOAIPQDTEO-UHFFFAOYSA-N
XLogP1.98
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 53508443
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 71933304
[4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 124051068
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787976
N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 126794183
[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132289687
(3,3-difluoropyrrolidin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132291935
N-[(1S,2S)-2-fluorocyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 164636640
(5-methyl-1H-pyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65532803
N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 142786101
5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 142786102
5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 144770900

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71998433) is N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)c2cn[nH]c2C)C1.
What is the InChIKey of N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ZNJZZOAIPQDTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-3-21(9-15(16,17)18)13(23)11-5-4-6-22(8-11)14(24)12-7-19-20-10(12)2/h7,11H,3-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71998433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).