4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride

C9H13ClF3N3 — CID 118167037

IUPAC4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cc(C2CCNCC2)[nH]n1
InChIInChI=1S/C9H12F3N3.ClH/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6;/h5-6,13H,1-4H2,(H,14,15);1H
InChIKeyJGZYHTKRQSDXEK-UHFFFAOYSA-N
MW255.67 g/mol
LogP2.32
Rot. Bonds1

About 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride

4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride (PubChem CID 118167037) has the molecular formula C9H13ClF3N3 and a molecular weight of 255.67 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride
PubChem CID118167037
Molecular FormulaC9H13ClF3N3
Molecular Weight255.67 g/mol
Exact Mass255.08
IUPAC Name4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cc(C2CCNCC2)[nH]n1
InChIInChI=1S/C9H12F3N3.ClH/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6;/h5-6,13H,1-4H2,(H,14,15);1H
InChIKeyJGZYHTKRQSDXEK-UHFFFAOYSA-N
XLogP2.32
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride 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 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride?
The IUPAC name of 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride (CID 118167037) is 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride.
What is the SMILES notation for 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride?
The canonical SMILES for 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride is Cl.FC(F)(F)c1cc(C2CCNCC2)[nH]n1.
What is the InChIKey of 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride?
The InChIKey is JGZYHTKRQSDXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3.ClH/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6;/h5-6,13H,1-4H2,(H,14,15);1H.
What are the key properties of 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride?
4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride is sourced from PubChem (CID 118167037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).