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

C15H22N2O2 — CID 155512954

IUPAC3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
SMILESCn1nc(C2CC2)cc1C1COC2(CCCCC2)O1
InChIInChI=1S/C15H22N2O2/c1-17-13(9-12(16-17)11-5-6-11)14-10-18-15(19-14)7-3-2-4-8-15/h9,11,14H,2-8,10H2,1H3
InChIKeyVRUBAZZWYIPIRA-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.05
Rot. Bonds2

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

3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole (PubChem CID 155512954) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
PubChem CID155512954
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
SMILESCn1nc(C2CC2)cc1C1COC2(CCCCC2)O1
InChIInChI=1S/C15H22N2O2/c1-17-13(9-12(16-17)11-5-6-11)14-10-18-15(19-14)7-3-2-4-8-15/h9,11,14H,2-8,10H2,1H3
InChIKeyVRUBAZZWYIPIRA-UHFFFAOYSA-N
XLogP3.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,4-Dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole
CID 155510464
3-Cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155519188
5-(1,4-Dioxaspiro[4.4]nonan-3-yl)-1-methyl-3-phenylpyrazole
CID 155532952
1-Cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole
CID 155533286
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole
CID 155538187
3-(1-Adamantyl)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155538570
1-(3-Cyclopropyl-1-methylpyrazol-5-yl)ethane-1,2-diol
CID 155540318
3-Cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155541838
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole
CID 155550795
Het-DPD-13a
CID 155557363
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole
CID 155558624
3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
CID 155559284

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole?
The IUPAC name of 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole (CID 155512954) is 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole.
What is the SMILES notation for 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole?
The canonical SMILES for 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole is Cn1nc(C2CC2)cc1C1COC2(CCCCC2)O1.
What is the InChIKey of 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole?
The InChIKey is VRUBAZZWYIPIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-13(9-12(16-17)11-5-6-11)14-10-18-15(19-14)7-3-2-4-8-15/h9,11,14H,2-8,10H2,1H3.
What are the key properties of 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole?
3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole has a molecular weight of 262.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole is sourced from PubChem (CID 155512954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).