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

C19H24N2O2 — CID 155558624

IUPAC5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole
SMILESCCn1nc(-c2ccccc2)cc1C1COC2(CCCCC2)O1
InChIInChI=1S/C19H24N2O2/c1-2-21-17(13-16(20-21)15-9-5-3-6-10-15)18-14-22-19(23-18)11-7-4-8-12-19/h3,5-6,9-10,13,18H,2,4,7-8,11-12,14H2,1H3
InChIKeyRIDJBIRGQRQAQV-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.32
Rot. Bonds3

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

5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole (PubChem CID 155558624) 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-ethyl-3-phenylpyrazole.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole
PubChem CID155558624
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole
SMILESCCn1nc(-c2ccccc2)cc1C1COC2(CCCCC2)O1
InChIInChI=1S/C19H24N2O2/c1-2-21-17(13-16(20-21)15-9-5-3-6-10-15)18-14-22-19(23-18)11-7-4-8-12-19/h3,5-6,9-10,13,18H,2,4,7-8,11-12,14H2,1H3
InChIKeyRIDJBIRGQRQAQV-UHFFFAOYSA-N
XLogP4.32
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cizolirtine
CID 132412
2-[(1-Benzyl-5-phenylpyrazol-3-yl)methoxy]-2-methylpropanoic acid
CID 168298595
1-Benzyloxy-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
CID 653117
1H-Pyrazole-1-ethanol, 3,5-dimethyl-alpha-phenyl-, 1-acetate
CID 658211
4-(4-Tert-butylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydro-1,3-oxazole
CID 56965285
Cizolirtine, (+)-
CID 3037765
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-1H-pyrazole
CID 155516159
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-3-phenyl-1-propan-2-ylpyrazole
CID 155518972
3-Cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155519188

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole (CID 155558624) is 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole is CCn1nc(-c2ccccc2)cc1C1COC2(CCCCC2)O1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole?
The InChIKey is RIDJBIRGQRQAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-21-17(13-16(20-21)15-9-5-3-6-10-15)18-14-22-19(23-18)11-7-4-8-12-19/h3,5-6,9-10,13,18H,2,4,7-8,11-12,14H2,1H3.
What are the key properties of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole?
5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole has a molecular weight of 312.41 g/mol, XLogP of 4.32, 3 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-ethyl-3-phenylpyrazole is sourced from PubChem (CID 155558624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).