4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride

C11H16ClF3N4O — CID 120924691

IUPAC4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)C1(n2cccn2)CCNCC1
InChIInChI=1S/C11H15F3N4O.ClH/c12-11(13,14)8-16-9(19)10(2-5-15-6-3-10)18-7-1-4-17-18;/h1,4,7,15H,2-3,5-6,8H2,(H,16,19);1H
InChIKeyLBXZOCZAWOWBDW-UHFFFAOYSA-N
MW312.72 g/mol
LogP1.06
Rot. Bonds3

About 4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride

4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120924691) has the molecular formula C11H16ClF3N4O and a molecular weight of 312.72 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120924691
Molecular FormulaC11H16ClF3N4O
Molecular Weight312.72 g/mol
Exact Mass312.10
IUPAC Name4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)C1(n2cccn2)CCNCC1
InChIInChI=1S/C11H15F3N4O.ClH/c12-11(13,14)8-16-9(19)10(2-5-15-6-3-10)18-7-1-4-17-18;/h1,4,7,15H,2-3,5-6,8H2,(H,16,19);1H
InChIKeyLBXZOCZAWOWBDW-UHFFFAOYSA-N
XLogP1.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-(2-methoxy-2-methylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120933453
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930774
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931395
N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935683
N-[(2-methylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924383
N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919791
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926251
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride (CID 120924691) is 4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCC(F)(F)F)C1(n2cccn2)CCNCC1.
What is the InChIKey of 4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is LBXZOCZAWOWBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O.ClH/c12-11(13,14)8-16-9(19)10(2-5-15-6-3-10)18-7-1-4-17-18;/h1,4,7,15H,2-3,5-6,8H2,(H,16,19);1H.
What are the key properties of 4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride?
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 312.72 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120924691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).