1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

C12H18F3N3 — CID 121458459

IUPAC1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESCC(C)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C12H18F3N3/c1-8(2)18-5-3-4-9(7-18)10-6-11(17-16-10)12(13,14)15/h6,8-9H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyZBQTYTAULQXDRX-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.02
Rot. Bonds2

About 1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine

1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 121458459) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
PubChem CID121458459
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
SMILESCC(C)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C12H18F3N3/c1-8(2)18-5-3-4-9(7-18)10-6-11(17-16-10)12(13,14)15/h6,8-9H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyZBQTYTAULQXDRX-UHFFFAOYSA-N
XLogP3.02
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine (CID 121458459) is 1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is CC(C)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is ZBQTYTAULQXDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(2)18-5-3-4-9(7-18)10-6-11(17-16-10)12(13,14)15/h6,8-9H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine?
1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 261.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 121458459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).