1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine

C11H14F3N3 — CID 141330185

IUPAC1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine
SMILESFC(F)(F)CC=C1CCN(c2ccn[nH]2)CC1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)5-1-9-3-7-17(8-4-9)10-2-6-15-16-10/h1-2,6H,3-5,7-8H2,(H,15,16)
InChIKeyNUGSFSPAYLHOAC-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.89
Rot. Bonds2

About 1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine

1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine (PubChem CID 141330185) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine
PubChem CID141330185
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine
SMILESFC(F)(F)CC=C1CCN(c2ccn[nH]2)CC1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)5-1-9-3-7-17(8-4-9)10-2-6-15-16-10/h1-2,6H,3-5,7-8H2,(H,15,16)
InChIKeyNUGSFSPAYLHOAC-UHFFFAOYSA-N
XLogP2.89
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Piperidino-pyrazole
CID 21416212
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677628
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 126677645
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677646
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 145270690
[1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium
CID 145270934
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 170346897
(3R)-5,5-difluoro-1-(1H-pyrazol-5-yl)piperidin-3-amine
CID 175178128
(3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 162598610
1-(1H-pyrazol-5-yl)-3,4-dihydro-2H-pyridine
CID 66882589
1-(1H-pyrazol-5-yl)piperidin-4-amine
CID 96224881
N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine
CID 126677685

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine?
The IUPAC name of 1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine (CID 141330185) is 1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine is FC(F)(F)CC=C1CCN(c2ccn[nH]2)CC1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine?
The InChIKey is NUGSFSPAYLHOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)5-1-9-3-7-17(8-4-9)10-2-6-15-16-10/h1-2,6H,3-5,7-8H2,(H,15,16).
What are the key properties of 1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine?
1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine has a molecular weight of 245.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine is sourced from PubChem (CID 141330185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).