1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole

C14H19F3N2O — CID 102846928

IUPAC1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CC2CCC3(CCCCC3)O2)n1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)12-5-9-19(18-12)10-11-4-8-13(20-11)6-2-1-3-7-13/h5,9,11H,1-4,6-8,10H2
InChIKeyVXUCQDKWXMUNHX-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.78
Rot. Bonds2

About 1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole

1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 102846928) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole
PubChem CID102846928
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(CC2CCC3(CCCCC3)O2)n1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)12-5-9-19(18-12)10-11-4-8-13(20-11)6-2-1-3-7-13/h5,9,11H,1-4,6-8,10H2
InChIKeyVXUCQDKWXMUNHX-UHFFFAOYSA-N
XLogP3.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 123444440
1-[2-(Oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole
CID 138654903
1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole
CID 153355727
N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine
CID 55073137
4-Ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61770379
4-Propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 61773296
[5-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine
CID 62440423
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
CID 62442345
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62442346
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62442541
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62442542
2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62442543

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole (CID 102846928) is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(CC2CCC3(CCCCC3)O2)n1.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is VXUCQDKWXMUNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)12-5-9-19(18-12)10-11-4-8-13(20-11)6-2-1-3-7-13/h5,9,11H,1-4,6-8,10H2.
What are the key properties of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole?
1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 288.31 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 102846928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).