5-methoxy-1H-pyrazol-4-amine;hydrochloride

C4H8ClN3O — CID 170912625

IUPAC5-methoxy-1H-pyrazol-4-amine;hydrochloride
SMILESCOc1[nH]ncc1N.Cl
InChIInChI=1S/C4H7N3O.ClH/c1-8-4-3(5)2-6-7-4;/h2H,5H2,1H3,(H,6,7);1H
InChIKeyDXAIUYMTZRKXDK-UHFFFAOYSA-N
MW149.58 g/mol
LogP0.42
Rot. Bonds1

About 5-methoxy-1H-pyrazol-4-amine;hydrochloride

5-methoxy-1H-pyrazol-4-amine;hydrochloride (PubChem CID 170912625) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is 5-methoxy-1H-pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name5-methoxy-1H-pyrazol-4-amine;hydrochloride
PubChem CID170912625
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC Name5-methoxy-1H-pyrazol-4-amine;hydrochloride
SMILESCOc1[nH]ncc1N.Cl
InChIInChI=1S/C4H7N3O.ClH/c1-8-4-3(5)2-6-7-4;/h2H,5H2,1H3,(H,6,7);1H
InChIKeyDXAIUYMTZRKXDK-UHFFFAOYSA-N
XLogP0.42
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-1H-pyrazol-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

Related Compounds

3-methoxy-4-nitro-1H-pyrazole
CID 4165828
3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine
CID 137942765
3-(2,2-difluoroethoxy)-1H-pyrazol-4-amine
CID 137942799
(4-amino-1H-pyrazol-5-yl) hydrogen carbonate
CID 70139053
5-prop-2-enoxy-1H-pyrazol-4-amine
CID 70521570
3-methoxy-1H-pyrazol-4-amine
CID 84647683
(4-amino-1H-pyrazol-5-yl) formate
CID 90962867
5-ethoxy-1H-pyrazol-4-amine
CID 126543963
5-methoxy-N-methyl-1H-pyrazol-4-amine
CID 135128797
4-isocyano-5-methoxy-1H-pyrazole
CID 153423123
5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride
CID 156901782
tert-butyl formate;5-methoxy-1H-pyrazol-4-amine
CID 161928308

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-pyrazol-4-amine;hydrochloride?
The IUPAC name of 5-methoxy-1H-pyrazol-4-amine;hydrochloride (CID 170912625) is 5-methoxy-1H-pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 5-methoxy-1H-pyrazol-4-amine;hydrochloride?
The canonical SMILES for 5-methoxy-1H-pyrazol-4-amine;hydrochloride is COc1[nH]ncc1N.Cl.
What is the InChIKey of 5-methoxy-1H-pyrazol-4-amine;hydrochloride?
The InChIKey is DXAIUYMTZRKXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.ClH/c1-8-4-3(5)2-6-7-4;/h2H,5H2,1H3,(H,6,7);1H.
What are the key properties of 5-methoxy-1H-pyrazol-4-amine;hydrochloride?
5-methoxy-1H-pyrazol-4-amine;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 170912625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).