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

C9H12F3N3 — CID 56965583

IUPAC1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine
SMILESFC(F)(F)c1cc(N2CCCCC2)n[nH]1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)7-6-8(14-13-7)15-4-2-1-3-5-15/h6H,1-5H2,(H,13,14)
InChIKeyMTCZLEDNIRKRCO-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.42
Rot. Bonds1

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

1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine (PubChem CID 56965583) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine
PubChem CID56965583
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine
SMILESFC(F)(F)c1cc(N2CCCCC2)n[nH]1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)7-6-8(14-13-7)15-4-2-1-3-5-15/h6H,1-5H2,(H,13,14)
InChIKeyMTCZLEDNIRKRCO-UHFFFAOYSA-N
XLogP2.42
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine?
The IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine (CID 56965583) is 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine is FC(F)(F)c1cc(N2CCCCC2)n[nH]1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine?
The InChIKey is MTCZLEDNIRKRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)7-6-8(14-13-7)15-4-2-1-3-5-15/h6H,1-5H2,(H,13,14).
What are the key properties of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine?
1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine has a molecular weight of 219.21 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine is sourced from PubChem (CID 56965583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).