7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C12H19N3O2 — CID 60872722

IUPAC7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1cnn(C2CC3(CCC2N)OCCO3)c1
InChIInChI=1S/C12H19N3O2/c1-9-7-14-15(8-9)11-6-12(3-2-10(11)13)16-4-5-17-12/h7-8,10-11H,2-6,13H2,1H3
InChIKeyYWTSWGIWDDZKEJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.99
Rot. Bonds1

About 7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 60872722) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID60872722
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1cnn(C2CC3(CCC2N)OCCO3)c1
InChIInChI=1S/C12H19N3O2/c1-9-7-14-15(8-9)11-6-12(3-2-10(11)13)16-4-5-17-12/h7-8,10-11H,2-6,13H2,1H3
InChIKeyYWTSWGIWDDZKEJ-UHFFFAOYSA-N
XLogP0.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 60872722) is 7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is Cc1cnn(C2CC3(CCC2N)OCCO3)c1.
What is the InChIKey of 7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is YWTSWGIWDDZKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-14-15(8-9)11-6-12(3-2-10(11)13)16-4-5-17-12/h7-8,10-11H,2-6,13H2,1H3.
What are the key properties of 7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 237.30 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 60872722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).