(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine

C9H12F3N3 — CID 126677645

IUPAC(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)[C@@H]1CCCN(c2ccn[nH]2)C1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)7-2-1-5-15(6-7)8-3-4-13-14-8/h3-4,7H,1-2,5-6H2,(H,13,14)/t7-/m1/s1
InChIKeyHYLJEGXGTXXWRO-SSDOTTSWSA-N
MW219.21 g/mol
LogP2.19
Rot. Bonds1

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

(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine (PubChem CID 126677645) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
PubChem CID126677645
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)[C@@H]1CCCN(c2ccn[nH]2)C1
InChIInChI=1S/C9H12F3N3/c10-9(11,12)7-2-1-5-15(6-7)8-3-4-13-14-8/h3-4,7H,1-2,5-6H2,(H,13,14)/t7-/m1/s1
InChIKeyHYLJEGXGTXXWRO-SSDOTTSWSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidino-pyrazole
CID 21416212
1-(1H-pyrazol-5-yl)-1-(trifluoromethyl)guanidine
CID 118132108
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655317
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655318
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655319
4-fluoro-3-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol
CID 126655635
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677628
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677646
1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine
CID 141330185
1-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)piperidine
CID 141330208
ethane;1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 145270682
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 145270690

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine?
The IUPAC name of (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine (CID 126677645) is (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine is FC(F)(F)[C@@H]1CCCN(c2ccn[nH]2)C1.
What is the InChIKey of (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine?
The InChIKey is HYLJEGXGTXXWRO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)7-2-1-5-15(6-7)8-3-4-13-14-8/h3-4,7H,1-2,5-6H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine?
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine has a molecular weight of 219.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 126677645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).