1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

C10H14F3N3 — CID 83404613

IUPAC1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESCN1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C10H14F3N3/c1-16-4-2-3-7(6-16)8-5-9(15-14-8)10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15)
InChIKeyIBOBUHRUWLSIJN-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.24
Rot. Bonds1

About 1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 83404613) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
PubChem CID83404613
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESCN1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C10H14F3N3/c1-16-4-2-3-7(6-16)8-5-9(15-14-8)10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15)
InChIKeyIBOBUHRUWLSIJN-UHFFFAOYSA-N
XLogP2.24
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-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-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (CID 83404613) is 1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is CN1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is IBOBUHRUWLSIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-16-4-2-3-7(6-16)8-5-9(15-14-8)10(11,12)13/h5,7H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 233.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 83404613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).