5-methoxy-1-methylpyrazole-3,4-diamine

C5H10N4O — CID 23298678

IUPAC5-methoxy-1-methylpyrazole-3,4-diamine
SMILESCOc1c(N)c(N)nn1C
InChIInChI=1S/C5H10N4O/c1-9-5(10-2)3(6)4(7)8-9/h6H2,1-2H3,(H2,7,8)
InChIKeyDMCWEGWDWXCUBA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.41
Rot. Bonds1

About 5-methoxy-1-methylpyrazole-3,4-diamine

5-methoxy-1-methylpyrazole-3,4-diamine (PubChem CID 23298678) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-methoxy-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name5-methoxy-1-methylpyrazole-3,4-diamine
PubChem CID23298678
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name5-methoxy-1-methylpyrazole-3,4-diamine
SMILESCOc1c(N)c(N)nn1C
InChIInChI=1S/C5H10N4O/c1-9-5(10-2)3(6)4(7)8-9/h6H2,1-2H3,(H2,7,8)
InChIKeyDMCWEGWDWXCUBA-UHFFFAOYSA-N
XLogP-0.41
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methylpyrazole-3,4-diamine?
The IUPAC name of 5-methoxy-1-methylpyrazole-3,4-diamine (CID 23298678) is 5-methoxy-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 5-methoxy-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 5-methoxy-1-methylpyrazole-3,4-diamine is COc1c(N)c(N)nn1C.
What is the InChIKey of 5-methoxy-1-methylpyrazole-3,4-diamine?
The InChIKey is DMCWEGWDWXCUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-9-5(10-2)3(6)4(7)8-9/h6H2,1-2H3,(H2,7,8).
What are the key properties of 5-methoxy-1-methylpyrazole-3,4-diamine?
5-methoxy-1-methylpyrazole-3,4-diamine has a molecular weight of 142.16 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 23298678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).