1-N-ethylpyrazole-1,5-diamine

C5H10N4 — CID 69239401

IUPAC1-N-ethylpyrazole-1,5-diamine
SMILESCCNn1nccc1N
InChIInChI=1S/C5H10N4/c1-2-7-9-5(6)3-4-8-9/h3-4,7H,2,6H2,1H3
InChIKeyPDTOWYVGLJHQBX-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.03
Rot. Bonds2

About 1-N-ethylpyrazole-1,5-diamine

1-N-ethylpyrazole-1,5-diamine (PubChem CID 69239401) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-N-ethylpyrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-ethylpyrazole-1,5-diamine
PubChem CID69239401
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1-N-ethylpyrazole-1,5-diamine
SMILESCCNn1nccc1N
InChIInChI=1S/C5H10N4/c1-2-7-9-5(6)3-4-8-9/h3-4,7H,2,6H2,1H3
InChIKeyPDTOWYVGLJHQBX-UHFFFAOYSA-N
XLogP0.03
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethylpyrazole-1,5-diamine?
The IUPAC name of 1-N-ethylpyrazole-1,5-diamine (CID 69239401) is 1-N-ethylpyrazole-1,5-diamine.
What is the SMILES notation for 1-N-ethylpyrazole-1,5-diamine?
The canonical SMILES for 1-N-ethylpyrazole-1,5-diamine is CCNn1nccc1N.
What is the InChIKey of 1-N-ethylpyrazole-1,5-diamine?
The InChIKey is PDTOWYVGLJHQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-7-9-5(6)3-4-8-9/h3-4,7H,2,6H2,1H3.
What are the key properties of 1-N-ethylpyrazole-1,5-diamine?
1-N-ethylpyrazole-1,5-diamine has a molecular weight of 126.16 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethylpyrazole-1,5-diamine is sourced from PubChem (CID 69239401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).