5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole

C16H20N2O3 — CID 155527696

IUPAC5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole
SMILESCn1nc(-c2ccoc2)cc1C1COC2(CCCCC2)O1
InChIInChI=1S/C16H20N2O3/c1-18-14(9-13(17-18)12-5-8-19-10-12)15-11-20-16(21-15)6-3-2-4-7-16/h5,8-10,15H,2-4,6-7,11H2,1H3
InChIKeyABGIBPUXHJSFRK-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.43
Rot. Bonds2

About 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole

5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole (PubChem CID 155527696) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole
PubChem CID155527696
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole
SMILESCn1nc(-c2ccoc2)cc1C1COC2(CCCCC2)O1
InChIInChI=1S/C16H20N2O3/c1-18-14(9-13(17-18)12-5-8-19-10-12)15-11-20-16(21-15)6-3-2-4-7-16/h5,8-10,15H,2-4,6-7,11H2,1H3
InChIKeyABGIBPUXHJSFRK-UHFFFAOYSA-N
XLogP3.43
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole
CID 155551167
1-[3-(Furan-3-yl)-1-methylpyrazol-5-yl]ethane-1,2-diol
CID 155559328
Antioxidant agent-17
CID 169450283
1-[(3-Fluorophenyl)methyl]-3-(furan-2-yl)-5-phenylpyrazole
CID 177650824
3-(Furan-2-yl)-1-heptyl-5-phenylpyrazole
CID 177650635
1-(Cyclohexylmethyl)-3-(furan-2-yl)-5-phenylpyrazole
CID 177650715
5-(1-Benzyl-5-phenylpyrazol-3-yl)furan-2-carbaldehyde
CID 177650849
3-(Furan-2-yl)-1-heptylindazole
CID 177651601
1-Benzyl-3-(furan-2-yl)-5-phenylpyrazole
CID 177651775
1H-Pyrazole, 5-(2-furanyl)-3-(4-methylphenyl)-1-phenyl-
CID 10685620

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole (CID 155527696) is 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole is Cn1nc(-c2ccoc2)cc1C1COC2(CCCCC2)O1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole?
The InChIKey is ABGIBPUXHJSFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18-14(9-13(17-18)12-5-8-19-10-12)15-11-20-16(21-15)6-3-2-4-7-16/h5,8-10,15H,2-4,6-7,11H2,1H3.
What are the key properties of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole?
5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole has a molecular weight of 288.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole is sourced from PubChem (CID 155527696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).