1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine

C10H14F3N3 — CID 122575498

IUPAC1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(Cc2cn[nH]c2)CC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-1-3-16(4-2-9)7-8-5-14-15-6-8/h5-6,9H,1-4,7H2,(H,14,15)
InChIKeyXLZLEBDXLMXIKJ-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.18
Rot. Bonds2

About 1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine

1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine (PubChem CID 122575498) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine
PubChem CID122575498
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(Cc2cn[nH]c2)CC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-1-3-16(4-2-9)7-8-5-14-15-6-8/h5-6,9H,1-4,7H2,(H,14,15)
InChIKeyXLZLEBDXLMXIKJ-UHFFFAOYSA-N
XLogP2.18
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine (CID 122575498) is 1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine is FC(F)(F)C1CCN(Cc2cn[nH]c2)CC1.
What is the InChIKey of 1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine?
The InChIKey is XLZLEBDXLMXIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)9-1-3-16(4-2-9)7-8-5-14-15-6-8/h5-6,9H,1-4,7H2,(H,14,15).
What are the key properties of 1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine?
1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine has a molecular weight of 233.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 122575498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).