(2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone

C16H24N2O2 — CID 105119105

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESCCn1nc(C)cc1C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H24N2O2/c1-3-18-14(10-12(2)17-18)15(19)13-6-9-20-16(11-13)7-4-5-8-16/h10,13H,3-9,11H2,1-2H3
InChIKeyKTSAJIDFKCWZJL-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.13
Rot. Bonds3

About (2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone

(2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone (PubChem CID 105119105) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
PubChem CID105119105
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESCCn1nc(C)cc1C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H24N2O2/c1-3-18-14(10-12(2)17-18)15(19)13-6-9-20-16(11-13)7-4-5-8-16/h10,13H,3-9,11H2,1-2H3
InChIKeyKTSAJIDFKCWZJL-UHFFFAOYSA-N
XLogP3.13
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-5-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 105119876
(3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 102811812
(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787732
(2,6-dimethyl-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 107502445
(3-ethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787271
(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97494089
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
(2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 105119078
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
(2-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787788
(2-fluoro-4-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787768
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79912683

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone (CID 105119105) is (2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone is CCn1nc(C)cc1C(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is KTSAJIDFKCWZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18-14(10-12(2)17-18)15(19)13-6-9-20-16(11-13)7-4-5-8-16/h10,13H,3-9,11H2,1-2H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
(2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 105119105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).