3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride

C6H12ClN3O — CID 50998523

IUPAC3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride
SMILESCOc1nn(C)c(C)c1N.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-4-5(7)6(10-3)8-9(4)2;/h7H2,1-3H3;1H
InChIKeyLSVHEHXZCZMADY-UHFFFAOYSA-N
MW177.64 g/mol
LogP0.74
Rot. Bonds1

About 3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride

3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride (PubChem CID 50998523) has the molecular formula C6H12ClN3O and a molecular weight of 177.64 g/mol. Its IUPAC name is 3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride
PubChem CID50998523
Molecular FormulaC6H12ClN3O
Molecular Weight177.64 g/mol
Exact Mass177.07
IUPAC Name3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride
SMILESCOc1nn(C)c(C)c1N.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-4-5(7)6(10-3)8-9(4)2;/h7H2,1-3H3;1H
InChIKeyLSVHEHXZCZMADY-UHFFFAOYSA-N
XLogP0.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.64
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride 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 3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride?
The IUPAC name of 3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride (CID 50998523) is 3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride is COc1nn(C)c(C)c1N.Cl.
What is the InChIKey of 3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride?
The InChIKey is LSVHEHXZCZMADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.ClH/c1-4-5(7)6(10-3)8-9(4)2;/h7H2,1-3H3;1H.
What are the key properties of 3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride?
3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride has a molecular weight of 177.64 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,5-dimethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 50998523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).