5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole

C19H24N2O2 — CID 155550795

IUPAC5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole
SMILESCc1cccc(-c2cc(C3COC4(CCCCC4)O3)n(C)n2)c1
InChIInChI=1S/C19H24N2O2/c1-14-7-6-8-15(11-14)16-12-17(21(2)20-16)18-13-22-19(23-18)9-4-3-5-10-19/h6-8,11-12,18H,3-5,9-10,13H2,1-2H3
InChIKeyAIFVICFWYCZTSY-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.14
Rot. Bonds2

About 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole

5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole (PubChem CID 155550795) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole
PubChem CID155550795
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole
SMILESCc1cccc(-c2cc(C3COC4(CCCCC4)O3)n(C)n2)c1
InChIInChI=1S/C19H24N2O2/c1-14-7-6-8-15(11-14)16-12-17(21(2)20-16)18-13-22-19(23-18)9-4-3-5-10-19/h6-8,11-12,18H,3-5,9-10,13H2,1-2H3
InChIKeyAIFVICFWYCZTSY-UHFFFAOYSA-N
XLogP4.14
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole (CID 155550795) is 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole is Cc1cccc(-c2cc(C3COC4(CCCCC4)O3)n(C)n2)c1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole?
The InChIKey is AIFVICFWYCZTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-7-6-8-15(11-14)16-12-17(21(2)20-16)18-13-22-19(23-18)9-4-3-5-10-19/h6-8,11-12,18H,3-5,9-10,13H2,1-2H3.
What are the key properties of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole?
5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole has a molecular weight of 312.41 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole is sourced from PubChem (CID 155550795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).