(3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone

C16H24N2O2 — CID 102811812

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESCCc1nn(C)cc1C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H24N2O2/c1-3-14-13(11-18(2)17-14)15(19)12-6-9-20-16(10-12)7-4-5-8-16/h11-12H,3-10H2,1-2H3
InChIKeyNTWRBFJELLRLDG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.90
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone

(3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone (PubChem CID 102811812) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
PubChem CID102811812
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESCCc1nn(C)cc1C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H24N2O2/c1-3-14-13(11-18(2)17-14)15(19)12-6-9-20-16(10-12)7-4-5-8-16/h11-12H,3-10H2,1-2H3
InChIKeyNTWRBFJELLRLDG-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxothiolan-3-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 112670820
(2-ethyl-5-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 105119105
(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 102812619
(4-methylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787795
(3-ethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787271
(3-ethyl-6-methylpyridazin-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 105119728
(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787732
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 115990440
(1-methylpyrazol-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79922079
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone (CID 102811812) is (3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone is CCc1nn(C)cc1C(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is NTWRBFJELLRLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-14-13(11-18(2)17-14)15(19)12-6-9-20-16(10-12)7-4-5-8-16/h11-12H,3-10H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
(3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 102811812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).