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

C14H20N2O2 — CID 155559284

IUPAC3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
SMILESc1c(C2CC2)n[nH]c1C1COC2(CCCCC2)O1
InChIInChI=1S/C14H20N2O2/c1-2-6-14(7-3-1)17-9-13(18-14)12-8-11(15-16-12)10-4-5-10/h8,10,13H,1-7,9H2,(H,15,16)
InChIKeyWIZHPXWAHRVOOI-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.04
Rot. Bonds2

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

3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole (PubChem CID 155559284) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
PubChem CID155559284
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
SMILESc1c(C2CC2)n[nH]c1C1COC2(CCCCC2)O1
InChIInChI=1S/C14H20N2O2/c1-2-6-14(7-3-1)17-9-13(18-14)12-8-11(15-16-12)10-4-5-10/h8,10,13H,1-7,9H2,(H,15,16)
InChIKeyWIZHPXWAHRVOOI-UHFFFAOYSA-N
XLogP3.04
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155512954
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)-1H-pyrazole
CID 155525538
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-tert-butyl-5-(oxolan-2-yl)-1H-pyrazole
CID 145744954
[(3R,5R)-5-(5-methyl-1H-pyrazol-3-yl)oxolan-3-yl] acetate
CID 170075845
5-[(3S)-3-iodooxan-2-yl]-3-propan-2-yl-1H-pyrazole
CID 170161012
[cyclobutyl-(5-cyclopropyl-1H-pyrazol-3-yl)methyl] formate
CID 174937217
3-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole
CID 175107816
5-cyclopropyl-3-(diethoxymethyl)-1H-pyrazole
CID 80743466
5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole
CID 81173792

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole?
The IUPAC name of 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole (CID 155559284) is 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole.
What is the SMILES notation for 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole?
The canonical SMILES for 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole is c1c(C2CC2)n[nH]c1C1COC2(CCCCC2)O1.
What is the InChIKey of 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole?
The InChIKey is WIZHPXWAHRVOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-6-14(7-3-1)17-9-13(18-14)12-8-11(15-16-12)10-4-5-10/h8,10,13H,1-7,9H2,(H,15,16).
What are the key properties of 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole?
3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole has a molecular weight of 248.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole is sourced from PubChem (CID 155559284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).