1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole

C14H22N2O2 — CID 123289657

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole
SMILESCCc1cn(C2CCC3(CC2)OCCO3)nc1C
InChIInChI=1S/C14H22N2O2/c1-3-12-10-16(15-11(12)2)13-4-6-14(7-5-13)17-8-9-18-14/h10,13H,3-9H2,1-2H3
InChIKeyLUJAHWXTKIRHBY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.61
Rot. Bonds2

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole

1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole (PubChem CID 123289657) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole
PubChem CID123289657
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole
SMILESCCc1cn(C2CCC3(CC2)OCCO3)nc1C
InChIInChI=1S/C14H22N2O2/c1-3-12-10-16(15-11(12)2)13-4-6-14(7-5-13)17-8-9-18-14/h10,13H,3-9H2,1-2H3
InChIKeyLUJAHWXTKIRHBY-UHFFFAOYSA-N
XLogP2.61
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(1-Methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75506850
3-(Difluoromethyl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazole
CID 167439978
1'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]
CID 14128504
4-Iodo-5-methyl-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazole
CID 58516019
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-4-iodo-3-methylpyrazole
CID 58516041
5-ethoxy-5-ethynoxy-2-propan-2-yl-6,7-dihydro-4H-indazole
CID 59050166
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole
CID 59541140
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-5-ethyl-4-iodopyrazole
CID 67004362
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-3-ethyl-4-iodopyrazole
CID 67004423
1'-propylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]
CID 68334251
1'-propan-2-ylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]
CID 68334425
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-4-ethylpyrazole
CID 123195691

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole (CID 123289657) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole is CCc1cn(C2CCC3(CC2)OCCO3)nc1C.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole?
The InChIKey is LUJAHWXTKIRHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12-10-16(15-11(12)2)13-4-6-14(7-5-13)17-8-9-18-14/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole has a molecular weight of 250.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole is sourced from PubChem (CID 123289657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).