1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole

C20H24N2O2 — CID 155533286

IUPAC1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole
SMILESc1ccc(-c2cc(C3COC4(CCCCC4)O3)n(C3CC3)n2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-7-15(8-4-1)17-13-18(22(21-17)16-9-10-16)19-14-23-20(24-19)11-5-2-6-12-20/h1,3-4,7-8,13,16,19H,2,5-6,9-12,14H2
InChIKeyRCSPCUHTXCIYTJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.63
Rot. Bonds3

About 1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole

1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole (PubChem CID 155533286) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole
PubChem CID155533286
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole
SMILESc1ccc(-c2cc(C3COC4(CCCCC4)O3)n(C3CC3)n2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-7-15(8-4-1)17-13-18(22(21-17)16-9-10-16)19-14-23-20(24-19)11-5-2-6-12-20/h1,3-4,7-8,13,16,19H,2,5-6,9-12,14H2
InChIKeyRCSPCUHTXCIYTJ-UHFFFAOYSA-N
XLogP4.63
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole
CID 56965285
5-(1,4-Dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole
CID 155510464
3-Cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155512954
3-[5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]benzonitrile
CID 155514759
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-3-phenyl-1-propan-2-ylpyrazole
CID 155518972
4-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]-N,N-dimethylaniline
CID 155523066
3-[5-(1,4-Dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazol-1-yl]propanenitrile
CID 155528416
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1,3-diphenylpyrazole
CID 155532143
5-(1,4-Dioxaspiro[4.4]nonan-3-yl)-1-methyl-3-phenylpyrazole
CID 155532952
1-Cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole
CID 155536213
3-Cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155541838
1-[3-(1-Methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 155541892

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole?
The IUPAC name of 1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole (CID 155533286) is 1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole.
What is the SMILES notation for 1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole?
The canonical SMILES for 1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole is c1ccc(-c2cc(C3COC4(CCCCC4)O3)n(C3CC3)n2)cc1.
What is the InChIKey of 1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole?
The InChIKey is RCSPCUHTXCIYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-7-15(8-4-1)17-13-18(22(21-17)16-9-10-16)19-14-23-20(24-19)11-5-2-6-12-20/h1,3-4,7-8,13,16,19H,2,5-6,9-12,14H2.
What are the key properties of 1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole?
1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole has a molecular weight of 324.42 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole is sourced from PubChem (CID 155533286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).