1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine

C16H18F3N3 — CID 57309726

IUPAC1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine
SMILESCN1CCC(n2ccc(-c3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C16H18F3N3/c1-21-9-6-14(7-10-21)22-11-8-15(20-22)12-2-4-13(5-3-12)16(17,18)19/h2-5,8,11,14H,6-7,9-10H2,1H3
InChIKeyMEHBHJPWQXHFDW-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.84
Rot. Bonds2

About 1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine

1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine (PubChem CID 57309726) has the molecular formula C16H18F3N3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine
PubChem CID57309726
Molecular FormulaC16H18F3N3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine
SMILESCN1CCC(n2ccc(-c3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C16H18F3N3/c1-21-9-6-14(7-10-21)22-11-8-15(20-22)12-2-4-13(5-3-12)16(17,18)19/h2-5,8,11,14H,6-7,9-10H2,1H3
InChIKeyMEHBHJPWQXHFDW-UHFFFAOYSA-N
XLogP3.84
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine?
The IUPAC name of 1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine (CID 57309726) is 1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine?
The canonical SMILES for 1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine is CN1CCC(n2ccc(-c3ccc(C(F)(F)F)cc3)n2)CC1.
What is the InChIKey of 1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine?
The InChIKey is MEHBHJPWQXHFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3/c1-21-9-6-14(7-10-21)22-11-8-15(20-22)12-2-4-13(5-3-12)16(17,18)19/h2-5,8,11,14H,6-7,9-10H2,1H3.
What are the key properties of 1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine?
1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine has a molecular weight of 309.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]piperidine is sourced from PubChem (CID 57309726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).