4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C14H19F3N4O — CID 141163285

IUPAC4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC(n2nccc2C2CC2)CC1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)9-18-13(22)20-7-4-11(5-8-20)21-12(3-6-19-21)10-1-2-10/h3,6,10-11H,1-2,4-5,7-9H2,(H,18,22)
InChIKeyLOHCDXJNQZWLBT-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.67
Rot. Bonds3

About 4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 141163285) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID141163285
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC(n2nccc2C2CC2)CC1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)9-18-13(22)20-7-4-11(5-8-20)21-12(3-6-19-21)10-1-2-10/h3,6,10-11H,1-2,4-5,7-9H2,(H,18,22)
InChIKeyLOHCDXJNQZWLBT-UHFFFAOYSA-N
XLogP2.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104288
N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448503
N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448682
N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448755
N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 118740652
N~3~-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1,3-piperidinedicarboxamide
CID 72892414
1-(2,4-Dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75522810
1-[(3S)-4-methylpent-1-yn-3-yl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 129432476
N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 164637945
N-Cyclohexyl-N'-{2-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-1-YL]propyl}urea
CID 19590442
2,2,2-Trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 130387987
2,2,2-Trifluoro-1-[4-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 130388015

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 141163285) is 4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCC(n2nccc2C2CC2)CC1.
What is the InChIKey of 4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is LOHCDXJNQZWLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c15-14(16,17)9-18-13(22)20-7-4-11(5-8-20)21-12(3-6-19-21)10-1-2-10/h3,6,10-11H,1-2,4-5,7-9H2,(H,18,22).
What are the key properties of 4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 141163285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).