N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide

C11H15F3N4O — CID 119330572

IUPACN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C1CCCNC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)7-18-6-9(5-16-18)17-10(19)8-2-1-3-15-4-8/h5-6,8,15H,1-4,7H2,(H,17,19)
InChIKeyKAZPNKOVHIDPTK-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.38
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide

N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide (PubChem CID 119330572) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide
PubChem CID119330572
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C1CCCNC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)7-18-6-9(5-16-18)17-10(19)8-2-1-3-15-4-8/h5-6,8,15H,1-4,7H2,(H,17,19)
InChIKeyKAZPNKOVHIDPTK-UHFFFAOYSA-N
XLogP1.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide
CID 51114235
3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 54593545
5-(4-Amino-1H-pyrazol-1-YL)piperidin-2-one
CID 67076055
1-(methylsulfonyl)-N-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}piperidine-3-carboxamide
CID 19583515
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 51098382
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-4-carboxamide
CID 51098383
N-(1-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxamide dihydrochloride
CID 45792389
4-methyl-N-[2-[methyl-(1-methylpyrazol-4-yl)amino]-2-oxoethyl]pentanamide
CID 71986184
(4S)-N-(1-ethylpyrazol-4-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311350
(2S)-N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 121519170
2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 127267503
(2R)-6-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide
CID 128255890

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide (CID 119330572) is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide is O=C(Nc1cnn(CC(F)(F)F)c1)C1CCCNC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide?
The InChIKey is KAZPNKOVHIDPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)7-18-6-9(5-16-18)17-10(19)8-2-1-3-15-4-8/h5-6,8,15H,1-4,7H2,(H,17,19).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide?
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 119330572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).