1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine

C19H24F3N3 — CID 56861411

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESCn1cc(CN2CCCC(CCc3ccccc3C(F)(F)F)C2)cn1
InChIInChI=1S/C19H24F3N3/c1-24-12-16(11-23-24)14-25-10-4-5-15(13-25)8-9-17-6-2-3-7-18(17)19(20,21)22/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3
InChIKeyUAFMMLXYSHPTNP-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.28
Rot. Bonds5

About 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine

1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine (PubChem CID 56861411) has the molecular formula C19H24F3N3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
PubChem CID56861411
Molecular FormulaC19H24F3N3
Molecular Weight351.42 g/mol
Exact Mass351.19
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESCn1cc(CN2CCCC(CCc3ccccc3C(F)(F)F)C2)cn1
InChIInChI=1S/C19H24F3N3/c1-24-12-16(11-23-24)14-25-10-4-5-15(13-25)8-9-17-6-2-3-7-18(17)19(20,21)22/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3
InChIKeyUAFMMLXYSHPTNP-UHFFFAOYSA-N
XLogP4.28
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fezolamine
CID 54567
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-Methyl-4-phenyl-1H-pyrazole
CID 13692442
(1S,4S)-2-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-2-azabicyclo[2.2.1]heptane
CID 16192448
4-[(2-Fluorophenyl)methyl]-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidine
CID 28357663
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 45227951
1,2-dimethyl-4-[2-(1H-pyrazol-1-ylmethyl)benzyl]piperazine
CID 50962406
4-(1-tert-butyl-1H-pyrazol-4-yl)-1-(2-phenylethyl)-1,2,3,6-tetrahydropyridine
CID 50981214
US10155727, Example 45
CID 118864282
US10155727, Example 33
CID 118864418
US10617680, Example 190
CID 135355186
US10617680, Example 147
CID 135355506

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine (CID 56861411) is 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine is Cn1cc(CN2CCCC(CCc3ccccc3C(F)(F)F)C2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine?
The InChIKey is UAFMMLXYSHPTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3/c1-24-12-16(11-23-24)14-25-10-4-5-15(13-25)8-9-17-6-2-3-7-18(17)19(20,21)22/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine?
1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine has a molecular weight of 351.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine is sourced from PubChem (CID 56861411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).