1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine

C14H23N3O2 — CID 135341977

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(C2CCC3(CC2)OCCO3)cc1N
InChIInChI=1S/C14H23N3O2/c1-10(2)13-12(15)9-17(16-13)11-3-5-14(6-4-11)18-7-8-19-14/h9-11H,3-8,15H2,1-2H3
InChIKeyNSHXFNVZUCWIQR-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.45
Rot. Bonds2

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine

1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine (PubChem CID 135341977) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine
PubChem CID135341977
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(C2CCC3(CC2)OCCO3)cc1N
InChIInChI=1S/C14H23N3O2/c1-10(2)13-12(15)9-17(16-13)11-3-5-14(6-4-11)18-7-8-19-14/h9-11H,3-8,15H2,1-2H3
InChIKeyNSHXFNVZUCWIQR-UHFFFAOYSA-N
XLogP2.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine (CID 135341977) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine is CC(C)c1nn(C2CCC3(CC2)OCCO3)cc1N.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine?
The InChIKey is NSHXFNVZUCWIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)13-12(15)9-17(16-13)11-3-5-14(6-4-11)18-7-8-19-14/h9-11H,3-8,15H2,1-2H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 135341977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).