1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine

C12H19N3O2 — CID 79903246

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine
SMILESNc1ccn(C2CCOC3(CCOCC3)C2)n1
InChIInChI=1S/C12H19N3O2/c13-11-1-5-15(14-11)10-2-6-17-12(9-10)3-7-16-8-4-12/h1,5,10H,2-4,6-9H2,(H2,13,14)
InChIKeyOEIIAMMOJUZSSK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.37
Rot. Bonds1

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine (PubChem CID 79903246) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine
PubChem CID79903246
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine
SMILESNc1ccn(C2CCOC3(CCOCC3)C2)n1
InChIInChI=1S/C12H19N3O2/c13-11-1-5-15(14-11)10-2-6-17-12(9-10)3-7-16-8-4-12/h1,5,10H,2-4,6-9H2,(H2,13,14)
InChIKeyOEIIAMMOJUZSSK-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79920836
3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole
CID 79919153
4-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazole-3-carboxylic acid
CID 107344331
1-(6-oxaspiro[4.5]decan-9-yl)pyrazole-3-carboxylic acid
CID 79893998
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole-3-carboxylic acid
CID 79894303
3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)triazol-4-yl]propan-1-amine
CID 106220792
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazole-4-carboxylic acid
CID 79893701
4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
CID 79903866
4-bromo-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
CID 79903564
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol
CID 79920064
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
6-chloro-3-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 114582130

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine (CID 79903246) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine is Nc1ccn(C2CCOC3(CCOCC3)C2)n1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine?
The InChIKey is OEIIAMMOJUZSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-11-1-5-15(14-11)10-2-6-17-12(9-10)3-7-16-8-4-12/h1,5,10H,2-4,6-9H2,(H2,13,14).
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine has a molecular weight of 237.30 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine is sourced from PubChem (CID 79903246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).