1,3-dimethylpyrazol-4-amine;hydrochloride

C5H10ClN3 — CID 12687197

IUPAC1,3-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C)cc1N.Cl
InChIInChI=1S/C5H9N3.ClH/c1-4-5(6)3-8(2)7-4;/h3H,6H2,1-2H3;1H
InChIKeyZDOGXPGAEYKUJK-UHFFFAOYSA-N
MW147.61 g/mol
LogP0.73
Rot. Bonds

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

1,3-dimethylpyrazol-4-amine;hydrochloride (PubChem CID 12687197) has the molecular formula C5H10ClN3 and a molecular weight of 147.61 g/mol. Its IUPAC name is 1,3-dimethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1,3-dimethylpyrazol-4-amine;hydrochloride
PubChem CID12687197
Molecular FormulaC5H10ClN3
Molecular Weight147.61 g/mol
Exact Mass147.06
IUPAC Name1,3-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C)cc1N.Cl
InChIInChI=1S/C5H9N3.ClH/c1-4-5(6)3-8(2)7-4;/h3H,6H2,1-2H3;1H
InChIKeyZDOGXPGAEYKUJK-UHFFFAOYSA-N
XLogP0.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1,3-dimethylpyrazol-4-amine;hydrochloride (CID 12687197) is 1,3-dimethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1,3-dimethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1,3-dimethylpyrazol-4-amine;hydrochloride is Cc1nn(C)cc1N.Cl.
What is the InChIKey of 1,3-dimethylpyrazol-4-amine;hydrochloride?
The InChIKey is ZDOGXPGAEYKUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.ClH/c1-4-5(6)3-8(2)7-4;/h3H,6H2,1-2H3;1H.
What are the key properties of 1,3-dimethylpyrazol-4-amine;hydrochloride?
1,3-dimethylpyrazol-4-amine;hydrochloride has a molecular weight of 147.61 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 12687197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).