5-methoxy-1-methylpyrazol-3-amine;hydrochloride

C5H10ClN3O — CID 75467575

IUPAC5-methoxy-1-methylpyrazol-3-amine;hydrochloride
SMILESCOc1cc(N)nn1C.Cl
InChIInChI=1S/C5H9N3O.ClH/c1-8-5(9-2)3-4(6)7-8;/h3H,1-2H3,(H2,6,7);1H
InChIKeyBXXZKYQJMVKGQY-UHFFFAOYSA-N
MW163.61 g/mol
LogP0.43
Rot. Bonds1

About 5-methoxy-1-methylpyrazol-3-amine;hydrochloride

5-methoxy-1-methylpyrazol-3-amine;hydrochloride (PubChem CID 75467575) has the molecular formula C5H10ClN3O and a molecular weight of 163.61 g/mol. Its IUPAC name is 5-methoxy-1-methylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-methoxy-1-methylpyrazol-3-amine;hydrochloride
PubChem CID75467575
Molecular FormulaC5H10ClN3O
Molecular Weight163.61 g/mol
Exact Mass163.05
IUPAC Name5-methoxy-1-methylpyrazol-3-amine;hydrochloride
SMILESCOc1cc(N)nn1C.Cl
InChIInChI=1S/C5H9N3O.ClH/c1-8-5(9-2)3-4(6)7-8;/h3H,1-2H3,(H2,6,7);1H
InChIKeyBXXZKYQJMVKGQY-UHFFFAOYSA-N
XLogP0.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methylpyrazol-3-amine;hydrochloride?
The IUPAC name of 5-methoxy-1-methylpyrazol-3-amine;hydrochloride (CID 75467575) is 5-methoxy-1-methylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for 5-methoxy-1-methylpyrazol-3-amine;hydrochloride?
The canonical SMILES for 5-methoxy-1-methylpyrazol-3-amine;hydrochloride is COc1cc(N)nn1C.Cl.
What is the InChIKey of 5-methoxy-1-methylpyrazol-3-amine;hydrochloride?
The InChIKey is BXXZKYQJMVKGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O.ClH/c1-8-5(9-2)3-4(6)7-8;/h3H,1-2H3,(H2,6,7);1H.
What are the key properties of 5-methoxy-1-methylpyrazol-3-amine;hydrochloride?
5-methoxy-1-methylpyrazol-3-amine;hydrochloride has a molecular weight of 163.61 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 75467575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).