1,4-dimethylpyrazole-3,5-diamine

C5H10N4 — CID 66624241

IUPAC1,4-dimethylpyrazole-3,5-diamine
SMILESCc1c(N)nn(C)c1N
InChIInChI=1S/C5H10N4/c1-3-4(6)8-9(2)5(3)7/h7H2,1-2H3,(H2,6,8)
InChIKeyDBQHVDXNVUWFJA-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.11
Rot. Bonds

About 1,4-dimethylpyrazole-3,5-diamine

1,4-dimethylpyrazole-3,5-diamine (PubChem CID 66624241) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1,4-dimethylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1,4-dimethylpyrazole-3,5-diamine
PubChem CID66624241
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1,4-dimethylpyrazole-3,5-diamine
SMILESCc1c(N)nn(C)c1N
InChIInChI=1S/C5H10N4/c1-3-4(6)8-9(2)5(3)7/h7H2,1-2H3,(H2,6,8)
InChIKeyDBQHVDXNVUWFJA-UHFFFAOYSA-N
XLogP-0.11
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazole-3,5-diamine?
The IUPAC name of 1,4-dimethylpyrazole-3,5-diamine (CID 66624241) is 1,4-dimethylpyrazole-3,5-diamine.
What is the SMILES notation for 1,4-dimethylpyrazole-3,5-diamine?
The canonical SMILES for 1,4-dimethylpyrazole-3,5-diamine is Cc1c(N)nn(C)c1N.
What is the InChIKey of 1,4-dimethylpyrazole-3,5-diamine?
The InChIKey is DBQHVDXNVUWFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-3-4(6)8-9(2)5(3)7/h7H2,1-2H3,(H2,6,8).
What are the key properties of 1,4-dimethylpyrazole-3,5-diamine?
1,4-dimethylpyrazole-3,5-diamine has a molecular weight of 126.16 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazole-3,5-diamine is sourced from PubChem (CID 66624241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).