1-methylpyrazol-3-amine;dihydrochloride

C4H9Cl2N3 — CID 67521051

IUPAC1-methylpyrazol-3-amine;dihydrochloride
SMILESCl.Cl.Cn1ccc(N)n1
InChIInChI=1S/C4H7N3.2ClH/c1-7-3-2-4(5)6-7;;/h2-3H,1H3,(H2,5,6);2*1H
InChIKeyKDUUSFFWHIPKLY-UHFFFAOYSA-N
MW170.04 g/mol
LogP0.85
Rot. Bonds

About 1-methylpyrazol-3-amine;dihydrochloride

1-methylpyrazol-3-amine;dihydrochloride (PubChem CID 67521051) has the molecular formula C4H9Cl2N3 and a molecular weight of 170.04 g/mol. Its IUPAC name is 1-methylpyrazol-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-methylpyrazol-3-amine;dihydrochloride
PubChem CID67521051
Molecular FormulaC4H9Cl2N3
Molecular Weight170.04 g/mol
Exact Mass169.02
IUPAC Name1-methylpyrazol-3-amine;dihydrochloride
SMILESCl.Cl.Cn1ccc(N)n1
InChIInChI=1S/C4H7N3.2ClH/c1-7-3-2-4(5)6-7;;/h2-3H,1H3,(H2,5,6);2*1H
InChIKeyKDUUSFFWHIPKLY-UHFFFAOYSA-N
XLogP0.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.04
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazol-3-amine;dihydrochloride?
The IUPAC name of 1-methylpyrazol-3-amine;dihydrochloride (CID 67521051) is 1-methylpyrazol-3-amine;dihydrochloride.
What is the SMILES notation for 1-methylpyrazol-3-amine;dihydrochloride?
The canonical SMILES for 1-methylpyrazol-3-amine;dihydrochloride is Cl.Cl.Cn1ccc(N)n1.
What is the InChIKey of 1-methylpyrazol-3-amine;dihydrochloride?
The InChIKey is KDUUSFFWHIPKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.2ClH/c1-7-3-2-4(5)6-7;;/h2-3H,1H3,(H2,5,6);2*1H.
What are the key properties of 1-methylpyrazol-3-amine;dihydrochloride?
1-methylpyrazol-3-amine;dihydrochloride has a molecular weight of 170.04 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazol-3-amine;dihydrochloride is sourced from PubChem (CID 67521051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).