4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine

C12H20F3N3 — CID 123353224

IUPAC4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine
SMILESCC1=CC(C(F)(F)F)N(C)N1C1CCN(C)CC1
InChIInChI=1S/C12H20F3N3/c1-9-8-11(12(13,14)15)17(3)18(9)10-4-6-16(2)7-5-10/h8,10-11H,4-7H2,1-3H3
InChIKeyXNTTYBFDANGMSS-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.08
Rot. Bonds1

About 4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine

4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine (PubChem CID 123353224) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine
PubChem CID123353224
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine
SMILESCC1=CC(C(F)(F)F)N(C)N1C1CCN(C)CC1
InChIInChI=1S/C12H20F3N3/c1-9-8-11(12(13,14)15)17(3)18(9)10-4-6-16(2)7-5-10/h8,10-11H,4-7H2,1-3H3
InChIKeyXNTTYBFDANGMSS-UHFFFAOYSA-N
XLogP2.08
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine?
The IUPAC name of 4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine (CID 123353224) is 4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine?
The canonical SMILES for 4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine is CC1=CC(C(F)(F)F)N(C)N1C1CCN(C)CC1.
What is the InChIKey of 4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine?
The InChIKey is XNTTYBFDANGMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-9-8-11(12(13,14)15)17(3)18(9)10-4-6-16(2)7-5-10/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine?
4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine has a molecular weight of 263.31 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-3-(trifluoromethyl)-3H-pyrazol-1-yl]-1-methylpiperidine is sourced from PubChem (CID 123353224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).