1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine

C8H15N3O — CID 62537017

IUPAC1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine
SMILESCOCC(C)n1ncc(C)c1N
InChIInChI=1S/C8H15N3O/c1-6-4-10-11(8(6)9)7(2)5-12-3/h4,7H,5,9H2,1-3H3
InChIKeyZMZVOWRLWIEGDE-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.98
Rot. Bonds3

About 1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine

1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine (PubChem CID 62537017) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine
PubChem CID62537017
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine
SMILESCOCC(C)n1ncc(C)c1N
InChIInChI=1S/C8H15N3O/c1-6-4-10-11(8(6)9)7(2)5-12-3/h4,7H,5,9H2,1-3H3
InChIKeyZMZVOWRLWIEGDE-UHFFFAOYSA-N
XLogP0.98
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-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-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine (CID 62537017) is 1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine is COCC(C)n1ncc(C)c1N.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine?
The InChIKey is ZMZVOWRLWIEGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-4-10-11(8(6)9)7(2)5-12-3/h4,7H,5,9H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine?
1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine has a molecular weight of 169.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine is sourced from PubChem (CID 62537017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).