5-N,1-dimethylpyrazole-4,5-diamine

C5H10N4 — CID 18692756

IUPAC5-N,1-dimethylpyrazole-4,5-diamine
SMILESCNc1c(N)cnn1C
InChIInChI=1S/C5H10N4/c1-7-5-4(6)3-8-9(5)2/h3,7H,6H2,1-2H3
InChIKeyTYXJLMPDDODUPM-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.04
Rot. Bonds1

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

5-N,1-dimethylpyrazole-4,5-diamine (PubChem CID 18692756) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-N,1-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethylpyrazole-4,5-diamine
PubChem CID18692756
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name5-N,1-dimethylpyrazole-4,5-diamine
SMILESCNc1c(N)cnn1C
InChIInChI=1S/C5H10N4/c1-7-5-4(6)3-8-9(5)2/h3,7H,6H2,1-2H3
InChIKeyTYXJLMPDDODUPM-UHFFFAOYSA-N
XLogP0.04
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethylpyrazole-4,5-diamine (CID 18692756) is 5-N,1-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethylpyrazole-4,5-diamine is CNc1c(N)cnn1C.
What is the InChIKey of 5-N,1-dimethylpyrazole-4,5-diamine?
The InChIKey is TYXJLMPDDODUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-7-5-4(6)3-8-9(5)2/h3,7H,6H2,1-2H3.
What are the key properties of 5-N,1-dimethylpyrazole-4,5-diamine?
5-N,1-dimethylpyrazole-4,5-diamine has a molecular weight of 126.16 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 18692756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).