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

C12H18N2O2 — CID 59541140

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole
SMILESCc1cnn(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C12H18N2O2/c1-10-8-13-14(9-10)11-2-4-12(5-3-11)15-6-7-16-12/h8-9,11H,2-7H2,1H3
InChIKeyOKEMOCRRDVEQFW-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.05
Rot. Bonds1

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

1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole (PubChem CID 59541140) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole
PubChem CID59541140
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole
SMILESCc1cnn(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C12H18N2O2/c1-10-8-13-14(9-10)11-2-4-12(5-3-11)15-6-7-16-12/h8-9,11H,2-7H2,1H3
InChIKeyOKEMOCRRDVEQFW-UHFFFAOYSA-N
XLogP2.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-propylpyrazol-4-amine
CID 99703625
1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 99838203
1-[1-(1,4-Dioxaspiro[4.5]decan-3-ylmethyl)pyrrolidin-3-yl]-4-methylpyrazole
CID 132392055
4-Fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazole
CID 156167108
N-methyl-7-[4-(trifluoromethyl)pyrazol-1-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 64173739
7-[4-(Trifluoromethyl)pyrazol-1-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 64176716
1-(1,4-Dioxaspiro[4.5]dec-8-yl)-4-iodo-1H-pyrazole
CID 59541125
1-(1,4-Dioxaspiro[4.5]decan-8-yl)pyrazole
CID 71271919
4-(4-Methylpyrazol-1-yl)cyclohexan-1-ol
CID 84022319
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-4-ethylpyrazole
CID 123195691
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole
CID 123289657
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-4-ethyl-5-methylpyrazole
CID 123448714

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole (CID 59541140) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole is Cc1cnn(C2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole?
The InChIKey is OKEMOCRRDVEQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10-8-13-14(9-10)11-2-4-12(5-3-11)15-6-7-16-12/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methylpyrazole has a molecular weight of 222.29 g/mol, XLogP of 2.05, 1 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-methylpyrazole is sourced from PubChem (CID 59541140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).