(3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C16H26N2O2 — CID 105116233

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCCc1cc(C(O)C2CCOC3(CCCC3)C2)n(C)n1
InChIInChI=1S/C16H26N2O2/c1-3-13-10-14(18(2)17-13)15(19)12-6-9-20-16(11-12)7-4-5-8-16/h10,12,15,19H,3-9,11H2,1-2H3
InChIKeyFUDCWNQXFZSQEB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.76
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 105116233) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID105116233
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCCc1cc(C(O)C2CCOC3(CCCC3)C2)n(C)n1
InChIInChI=1S/C16H26N2O2/c1-3-13-10-14(18(2)17-13)15(19)12-6-9-20-16(11-12)7-4-5-8-16/h10,12,15,19H,3-9,11H2,1-2H3
InChIKeyFUDCWNQXFZSQEB-UHFFFAOYSA-N
XLogP2.76
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170134
(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116217
5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylimidazol-4-yl)methanol
CID 79913885
1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
CID 103572574
[(2,5-dimethylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325481
(1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol
CID 105097748
(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 114554117
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 115990440
2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol
CID 79912400
(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912363
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(4-ethylthiadiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 105112753

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 105116233) is (3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol is CCc1cc(C(O)C2CCOC3(CCCC3)C2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is FUDCWNQXFZSQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-13-10-14(18(2)17-13)15(19)12-6-9-20-16(11-12)7-4-5-8-16/h10,12,15,19H,3-9,11H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 278.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 105116233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).