5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole

C19H24N2O2 — CID 155510464

IUPAC5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole
SMILESCn1nc(-c2ccccc2)cc1C1COC2(CCCCCC2)O1
InChIInChI=1S/C19H24N2O2/c1-21-17(13-16(20-21)15-9-5-4-6-10-15)18-14-22-19(23-18)11-7-2-3-8-12-19/h4-6,9-10,13,18H,2-3,7-8,11-12,14H2,1H3
InChIKeyBPRMPASYRKKVOO-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.23
Rot. Bonds2

About 5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole

5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole (PubChem CID 155510464) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole
PubChem CID155510464
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole
SMILESCn1nc(-c2ccccc2)cc1C1COC2(CCCCCC2)O1
InChIInChI=1S/C19H24N2O2/c1-21-17(13-16(20-21)15-9-5-4-6-10-15)18-14-22-19(23-18)11-7-2-3-8-12-19/h4-6,9-10,13,18H,2-3,7-8,11-12,14H2,1H3
InChIKeyBPRMPASYRKKVOO-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cizolirtine
CID 132412
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
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
3-Cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155519188
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

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole?
The IUPAC name of 5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole (CID 155510464) is 5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole?
The canonical SMILES for 5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole is Cn1nc(-c2ccccc2)cc1C1COC2(CCCCCC2)O1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole?
The InChIKey is BPRMPASYRKKVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21-17(13-16(20-21)15-9-5-4-6-10-15)18-14-22-19(23-18)11-7-2-3-8-12-19/h4-6,9-10,13,18H,2-3,7-8,11-12,14H2,1H3.
What are the key properties of 5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole?
5-(1,4-dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole has a molecular weight of 312.41 g/mol, XLogP of 4.23, 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[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole is sourced from PubChem (CID 155510464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).