1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine

C10H14F3N3O — CID 141330208

IUPAC1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine
SMILESFC(F)(F)COC1CCN(c2ccn[nH]2)CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)7-17-8-2-5-16(6-3-8)9-1-4-14-15-9/h1,4,8H,2-3,5-7H2,(H,14,15)
InChIKeyAHKSAWFROGSFIC-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.96
Rot. Bonds3

About 1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine

1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine (PubChem CID 141330208) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine
PubChem CID141330208
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine
SMILESFC(F)(F)COC1CCN(c2ccn[nH]2)CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)7-17-8-2-5-16(6-3-8)9-1-4-14-15-9/h1,4,8H,2-3,5-7H2,(H,14,15)
InChIKeyAHKSAWFROGSFIC-UHFFFAOYSA-N
XLogP1.96
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-pyrazol-3-yl)morpholine
CID 20784819
Piperidino-pyrazole
CID 21416212
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655317
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655318
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655319
4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol
CID 126655513
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 126677645
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 145270690
(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
N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-amine
CID 67009691
1-(1H-pyrazol-5-yl)piperidin-4-ol
CID 96225019

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine?
The IUPAC name of 1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine (CID 141330208) is 1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine is FC(F)(F)COC1CCN(c2ccn[nH]2)CC1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine?
The InChIKey is AHKSAWFROGSFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)7-17-8-2-5-16(6-3-8)9-1-4-14-15-9/h1,4,8H,2-3,5-7H2,(H,14,15).
What are the key properties of 1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine?
1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine has a molecular weight of 249.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine is sourced from PubChem (CID 141330208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).