(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine

C9H12F3N3 — CID 145285500

IUPAC(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)[C@H]1CCN[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)6-1-3-13-8(5-6)7-2-4-14-15-7/h2,4,6,8,13H,1,3,5H2,(H,14,15)/t6-,8+/m0/s1
InChIKeyDGYZWRHTVQIQDB-POYBYMJQSA-N
MW219.21 g/mol
LogP2.01
Rot. Bonds1

About (2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine

(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine (PubChem CID 145285500) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is (2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine
PubChem CID145285500
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)[C@H]1CCN[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)6-1-3-13-8(5-6)7-2-4-14-15-7/h2,4,6,8,13H,1,3,5H2,(H,14,15)/t6-,8+/m0/s1
InChIKeyDGYZWRHTVQIQDB-POYBYMJQSA-N
XLogP2.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of (2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine (CID 145285500) is (2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for (2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine is FC(F)(F)[C@H]1CCN[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of (2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is DGYZWRHTVQIQDB-POYBYMJQSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)6-1-3-13-8(5-6)7-2-4-14-15-7/h2,4,6,8,13H,1,3,5H2,(H,14,15)/t6-,8+/m0/s1.
What are the key properties of (2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine?
(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 219.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 145285500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).