1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C15H21F3N4O2 — CID 75460207

IUPAC1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)13-3-4-22(19-13)11-14(23)21-7-5-20(6-8-21)10-12-2-1-9-24-12/h3-4,12H,1-2,5-11H2
InChIKeyBHAKZKVWBSMCAJ-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.23
Rot. Bonds4

About 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 75460207) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID75460207
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)13-3-4-22(19-13)11-14(23)21-7-5-20(6-8-21)10-12-2-1-9-24-12/h3-4,12H,1-2,5-11H2
InChIKeyBHAKZKVWBSMCAJ-UHFFFAOYSA-N
XLogP1.23
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 75460207) is 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is O=C(Cn1ccc(C(F)(F)F)n1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is BHAKZKVWBSMCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c16-15(17,18)13-3-4-22(19-13)11-14(23)21-7-5-20(6-8-21)10-12-2-1-9-24-12/h3-4,12H,1-2,5-11H2.
What are the key properties of 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 346.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 75460207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).