4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine

C11H16F3N3 — CID 11608470

IUPAC4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine
SMILESCc1cc(C2CCNCC2)n(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-8-6-10(9-2-4-15-5-3-9)17(16-8)7-11(12,13)14/h6,9,15H,2-5,7H2,1H3
InChIKeyRBASZOXLGJCZLD-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.22
Rot. Bonds2

About 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine

4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine (PubChem CID 11608470) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine
PubChem CID11608470
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine
SMILESCc1cc(C2CCNCC2)n(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-8-6-10(9-2-4-15-5-3-9)17(16-8)7-11(12,13)14/h6,9,15H,2-5,7H2,1H3
InChIKeyRBASZOXLGJCZLD-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
2-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidine
CID 54592628
4-(3,5-dimethyl-1H-pyrazol-1-yl)piperidine
CID 23014320
(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)methanamine
CID 33781805
3-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989017
4-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989018
3-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414416
4-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414451
4-(2-Methylpyrazol-3-yl)piperidine;dihydrochloride
CID 92130993
2-cyclopropyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine hydrochloride
CID 132286794
4-(1-methyl-1H-pyrazol-3-yl)piperidine hydrochloride
CID 165595799
{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-methylethyl}amine
CID 19620826

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine?
The IUPAC name of 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine (CID 11608470) is 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine.
What is the SMILES notation for 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine?
The canonical SMILES for 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine is Cc1cc(C2CCNCC2)n(CC(F)(F)F)n1.
What is the InChIKey of 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine?
The InChIKey is RBASZOXLGJCZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-8-6-10(9-2-4-15-5-3-9)17(16-8)7-11(12,13)14/h6,9,15H,2-5,7H2,1H3.
What are the key properties of 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine?
4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine has a molecular weight of 247.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine is sourced from PubChem (CID 11608470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).