1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride

C8H13Cl2N5 — CID 86775545

IUPAC1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(-c2nn(C)cc2N)cn1
InChIInChI=1S/C8H11N5.2ClH/c1-12-4-6(3-10-12)8-7(9)5-13(2)11-8;;/h3-5H,9H2,1-2H3;2*1H
InChIKeyBHMSYHCCNGPJSB-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.25
Rot. Bonds1

About 1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride

1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride (PubChem CID 86775545) has the molecular formula C8H13Cl2N5 and a molecular weight of 250.13 g/mol. Its IUPAC name is 1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride
PubChem CID86775545
Molecular FormulaC8H13Cl2N5
Molecular Weight250.13 g/mol
Exact Mass249.05
IUPAC Name1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(-c2nn(C)cc2N)cn1
InChIInChI=1S/C8H11N5.2ClH/c1-12-4-6(3-10-12)8-7(9)5-13(2)11-8;;/h3-5H,9H2,1-2H3;2*1H
InChIKeyBHMSYHCCNGPJSB-UHFFFAOYSA-N
XLogP1.25
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride?
The IUPAC name of 1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride (CID 86775545) is 1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride?
The canonical SMILES for 1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride is Cl.Cl.Cn1cc(-c2nn(C)cc2N)cn1.
What is the InChIKey of 1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride?
The InChIKey is BHMSYHCCNGPJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5.2ClH/c1-12-4-6(3-10-12)8-7(9)5-13(2)11-8;;/h3-5H,9H2,1-2H3;2*1H.
What are the key properties of 1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride?
1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride has a molecular weight of 250.13 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 86775545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).