3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole

C16H24N2O2 — CID 155525538

IUPAC3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
SMILESc1c(C2CCCC2)n[nH]c1C1COC2(CCCCC2)O1
InChIInChI=1S/C16H24N2O2/c1-4-8-16(9-5-1)19-11-15(20-16)14-10-13(17-18-14)12-6-2-3-7-12/h10,12,15H,1-9,11H2,(H,17,18)
InChIKeyCWQYDDXQTSFDJG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.82
Rot. Bonds2

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

3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole (PubChem CID 155525538) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
PubChem CID155525538
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
SMILESc1c(C2CCCC2)n[nH]c1C1COC2(CCCCC2)O1
InChIInChI=1S/C16H24N2O2/c1-4-8-16(9-5-1)19-11-15(20-16)14-10-13(17-18-14)12-6-2-3-7-12/h10,12,15H,1-9,11H2,(H,17,18)
InChIKeyCWQYDDXQTSFDJG-UHFFFAOYSA-N
XLogP3.82
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole 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

5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenyl-1H-pyrazole
CID 155516159
3-Cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155519188
3-(1-adamantyl)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
CID 155552950
5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole
CID 155554685
3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
CID 155559284
3-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole
CID 145744954
3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole
CID 175107816
5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole
CID 81173792
5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole
CID 81174364
5-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenyl-1H-pyrazole
CID 101385391
3-[(4S,5S)-2,2-dimethyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-dioxolan-4-yl]-5-methyl-1H-pyrazole
CID 101541519
3-(diethoxymethyl)-5-(oxolan-3-yl)-1H-pyrazole
CID 116176977

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole?
The IUPAC name of 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole (CID 155525538) is 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole.
What is the SMILES notation for 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole?
The canonical SMILES for 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole is c1c(C2CCCC2)n[nH]c1C1COC2(CCCCC2)O1.
What is the InChIKey of 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole?
The InChIKey is CWQYDDXQTSFDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-8-16(9-5-1)19-11-15(20-16)14-10-13(17-18-14)12-6-2-3-7-12/h10,12,15H,1-9,11H2,(H,17,18).
What are the key properties of 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole?
3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole has a molecular weight of 276.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole is sourced from PubChem (CID 155525538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).