1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole

C15H21F3N2O — CID 168880229

IUPAC1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)n(C2CC3(CCOCC3)C2)n1
InChIInChI=1S/C15H21F3N2O/c1-10(2)12-7-13(15(16,17)18)20(19-12)11-8-14(9-11)3-5-21-6-4-14/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyANBSLQNDPWDWAY-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.16
Rot. Bonds2

About 1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole

1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole (PubChem CID 168880229) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole
PubChem CID168880229
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)n(C2CC3(CCOCC3)C2)n1
InChIInChI=1S/C15H21F3N2O/c1-10(2)12-7-13(15(16,17)18)20(19-12)11-8-14(9-11)3-5-21-6-4-14/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyANBSLQNDPWDWAY-UHFFFAOYSA-N
XLogP4.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole (CID 168880229) is 1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole is CC(C)c1cc(C(F)(F)F)n(C2CC3(CCOCC3)C2)n1.
What is the InChIKey of 1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole?
The InChIKey is ANBSLQNDPWDWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(2)12-7-13(15(16,17)18)20(19-12)11-8-14(9-11)3-5-21-6-4-14/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole?
1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole has a molecular weight of 302.34 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxaspiro[3.5]nonan-2-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 168880229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).