N,1-dimethylpyrazol-4-amine;dihydrochloride

C5H11Cl2N3 — CID 91659076

IUPACN,1-dimethylpyrazol-4-amine;dihydrochloride
SMILESCNc1cnn(C)c1.Cl.Cl
InChIInChI=1S/C5H9N3.2ClH/c1-6-5-3-7-8(2)4-5;;/h3-4,6H,1-2H3;2*1H
InChIKeyVRWCIXDFBIGIJK-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.31
Rot. Bonds1

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

N,1-dimethylpyrazol-4-amine;dihydrochloride (PubChem CID 91659076) has the molecular formula C5H11Cl2N3 and a molecular weight of 184.07 g/mol. Its IUPAC name is N,1-dimethylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound NameN,1-dimethylpyrazol-4-amine;dihydrochloride
PubChem CID91659076
Molecular FormulaC5H11Cl2N3
Molecular Weight184.07 g/mol
Exact Mass183.03
IUPAC NameN,1-dimethylpyrazol-4-amine;dihydrochloride
SMILESCNc1cnn(C)c1.Cl.Cl
InChIInChI=1S/C5H9N3.2ClH/c1-6-5-3-7-8(2)4-5;;/h3-4,6H,1-2H3;2*1H
InChIKeyVRWCIXDFBIGIJK-UHFFFAOYSA-N
XLogP1.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpyrazol-4-amine;dihydrochloride?
The IUPAC name of N,1-dimethylpyrazol-4-amine;dihydrochloride (CID 91659076) is N,1-dimethylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for N,1-dimethylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for N,1-dimethylpyrazol-4-amine;dihydrochloride is CNc1cnn(C)c1.Cl.Cl.
What is the InChIKey of N,1-dimethylpyrazol-4-amine;dihydrochloride?
The InChIKey is VRWCIXDFBIGIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.2ClH/c1-6-5-3-7-8(2)4-5;;/h3-4,6H,1-2H3;2*1H.
What are the key properties of N,1-dimethylpyrazol-4-amine;dihydrochloride?
N,1-dimethylpyrazol-4-amine;dihydrochloride has a molecular weight of 184.07 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 91659076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).