1-ethylpyrazole-3,4-diamine

C5H10N4 — CID 66509601

IUPAC1-ethylpyrazole-3,4-diamine
SMILESCCn1cc(N)c(N)n1
InChIInChI=1S/C5H10N4/c1-2-9-3-4(6)5(7)8-9/h3H,2,6H2,1H3,(H2,7,8)
InChIKeySJIBBULYRPGCOV-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.07
Rot. Bonds1

About 1-ethylpyrazole-3,4-diamine

1-ethylpyrazole-3,4-diamine (PubChem CID 66509601) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-ethylpyrazole-3,4-diamine.

Molecular Properties

Compound Name1-ethylpyrazole-3,4-diamine
PubChem CID66509601
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1-ethylpyrazole-3,4-diamine
SMILESCCn1cc(N)c(N)n1
InChIInChI=1S/C5H10N4/c1-2-9-3-4(6)5(7)8-9/h3H,2,6H2,1H3,(H2,7,8)
InChIKeySJIBBULYRPGCOV-UHFFFAOYSA-N
XLogP0.07
TPSA69.86 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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrazole-3,4-diamine?
The IUPAC name of 1-ethylpyrazole-3,4-diamine (CID 66509601) is 1-ethylpyrazole-3,4-diamine.
What is the SMILES notation for 1-ethylpyrazole-3,4-diamine?
The canonical SMILES for 1-ethylpyrazole-3,4-diamine is CCn1cc(N)c(N)n1.
What is the InChIKey of 1-ethylpyrazole-3,4-diamine?
The InChIKey is SJIBBULYRPGCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-9-3-4(6)5(7)8-9/h3H,2,6H2,1H3,(H2,7,8).
What are the key properties of 1-ethylpyrazole-3,4-diamine?
1-ethylpyrazole-3,4-diamine has a molecular weight of 126.16 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrazole-3,4-diamine is sourced from PubChem (CID 66509601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).