1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine

C11H19N3O — CID 123447723

IUPAC1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine
SMILESCC(C)CC1(Cn2cc(N)cn2)COC1
InChIInChI=1S/C11H19N3O/c1-9(2)3-11(7-15-8-11)6-14-5-10(12)4-13-14/h4-5,9H,3,6-8,12H2,1-2H3
InChIKeyXGAJSSYCONHBKK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.53
Rot. Bonds4

About 1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine

1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine (PubChem CID 123447723) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine
PubChem CID123447723
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine
SMILESCC(C)CC1(Cn2cc(N)cn2)COC1
InChIInChI=1S/C11H19N3O/c1-9(2)3-11(7-15-8-11)6-14-5-10(12)4-13-14/h4-5,9H,3,6-8,12H2,1-2H3
InChIKeyXGAJSSYCONHBKK-UHFFFAOYSA-N
XLogP1.53
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine (CID 123447723) is 1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine is CC(C)CC1(Cn2cc(N)cn2)COC1.
What is the InChIKey of 1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine?
The InChIKey is XGAJSSYCONHBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)3-11(7-15-8-11)6-14-5-10(12)4-13-14/h4-5,9H,3,6-8,12H2,1-2H3.
What are the key properties of 1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine?
1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine has a molecular weight of 209.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methylpropyl)oxetan-3-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 123447723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).