1,3-dimethylpyrazol-4-amine;dihydrochloride

C5H11Cl2N3 — CID 17349594

IUPAC1,3-dimethylpyrazol-4-amine;dihydrochloride
SMILESCc1nn(C)cc1N.Cl.Cl
InChIInChI=1S/C5H9N3.2ClH/c1-4-5(6)3-8(2)7-4;;/h3H,6H2,1-2H3;2*1H
InChIKeyDWNGGFJVARNXSR-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.15
Rot. Bonds

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

1,3-dimethylpyrazol-4-amine;dihydrochloride (PubChem CID 17349594) has the molecular formula C5H11Cl2N3 and a molecular weight of 184.07 g/mol. Its IUPAC name is 1,3-dimethylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1,3-dimethylpyrazol-4-amine;dihydrochloride
PubChem CID17349594
Molecular FormulaC5H11Cl2N3
Molecular Weight184.07 g/mol
Exact Mass183.03
IUPAC Name1,3-dimethylpyrazol-4-amine;dihydrochloride
SMILESCc1nn(C)cc1N.Cl.Cl
InChIInChI=1S/C5H9N3.2ClH/c1-4-5(6)3-8(2)7-4;;/h3H,6H2,1-2H3;2*1H
InChIKeyDWNGGFJVARNXSR-UHFFFAOYSA-N
XLogP1.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 51.15
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;dihydrochloride?
The IUPAC name of 1,3-dimethylpyrazol-4-amine;dihydrochloride (CID 17349594) is 1,3-dimethylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 1,3-dimethylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for 1,3-dimethylpyrazol-4-amine;dihydrochloride is Cc1nn(C)cc1N.Cl.Cl.
What is the InChIKey of 1,3-dimethylpyrazol-4-amine;dihydrochloride?
The InChIKey is DWNGGFJVARNXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.2ClH/c1-4-5(6)3-8(2)7-4;;/h3H,6H2,1-2H3;2*1H.
What are the key properties of 1,3-dimethylpyrazol-4-amine;dihydrochloride?
1,3-dimethylpyrazol-4-amine;dihydrochloride has a molecular weight of 184.07 g/mol, XLogP of 1.15, 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;dihydrochloride is sourced from PubChem (CID 17349594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).