1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine

C12H18F3N3O — CID 62565250

IUPAC1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
SMILESCC(NCCn1ccc(C(F)(F)F)n1)C1CCCO1
InChIInChI=1S/C12H18F3N3O/c1-9(10-3-2-8-19-10)16-5-7-18-6-4-11(17-18)12(13,14)15/h4,6,9-10,16H,2-3,5,7-8H2,1H3
InChIKeyBUBARSDKTZWHMQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.06
Rot. Bonds5

About 1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine

1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine (PubChem CID 62565250) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
PubChem CID62565250
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
SMILESCC(NCCn1ccc(C(F)(F)F)n1)C1CCCO1
InChIInChI=1S/C12H18F3N3O/c1-9(10-3-2-8-19-10)16-5-7-18-6-4-11(17-18)12(13,14)15/h4,6,9-10,16H,2-3,5,7-8H2,1H3
InChIKeyBUBARSDKTZWHMQ-UHFFFAOYSA-N
XLogP2.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine (CID 62565250) is 1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine is CC(NCCn1ccc(C(F)(F)F)n1)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
The InChIKey is BUBARSDKTZWHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-9(10-3-2-8-19-10)16-5-7-18-6-4-11(17-18)12(13,14)15/h4,6,9-10,16H,2-3,5,7-8H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine has a molecular weight of 277.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine is sourced from PubChem (CID 62565250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).