1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole

C10H14N2O2 — CID 146611721

IUPAC1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole
SMILESCc1cnn(C2CC3(C2)OCCO3)c1
InChIInChI=1S/C10H14N2O2/c1-8-6-11-12(7-8)9-4-10(5-9)13-2-3-14-10/h6-7,9H,2-5H2,1H3
InChIKeyPUQRIZGDCRALPS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.27
Rot. Bonds1

About 1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole

1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole (PubChem CID 146611721) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole
PubChem CID146611721
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole
SMILESCc1cnn(C2CC3(C2)OCCO3)c1
InChIInChI=1S/C10H14N2O2/c1-8-6-11-12(7-8)9-4-10(5-9)13-2-3-14-10/h6-7,9H,2-5H2,1H3
InChIKeyPUQRIZGDCRALPS-UHFFFAOYSA-N
XLogP1.27
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole?
The IUPAC name of 1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole (CID 146611721) is 1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole.
What is the SMILES notation for 1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole?
The canonical SMILES for 1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole is Cc1cnn(C2CC3(C2)OCCO3)c1.
What is the InChIKey of 1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole?
The InChIKey is PUQRIZGDCRALPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-6-11-12(7-8)9-4-10(5-9)13-2-3-14-10/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole?
1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole has a molecular weight of 194.23 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,8-dioxaspiro[3.4]octan-2-yl)-4-methylpyrazole is sourced from PubChem (CID 146611721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).