4-amino-1,2-diethylpyrazol-3-one

C7H13N3O — CID 23158454

IUPAC4-amino-1,2-diethylpyrazol-3-one
SMILESCCn1cc(N)c(=O)n1CC
InChIInChI=1S/C7H13N3O/c1-3-9-5-6(8)7(11)10(9)4-2/h5H,3-4,8H2,1-2H3
InChIKeySDWJMXYNHMWJOP-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.27
Rot. Bonds2

About 4-amino-1,2-diethylpyrazol-3-one

4-amino-1,2-diethylpyrazol-3-one (PubChem CID 23158454) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-amino-1,2-diethylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-1,2-diethylpyrazol-3-one
PubChem CID23158454
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-amino-1,2-diethylpyrazol-3-one
SMILESCCn1cc(N)c(=O)n1CC
InChIInChI=1S/C7H13N3O/c1-3-9-5-6(8)7(11)10(9)4-2/h5H,3-4,8H2,1-2H3
InChIKeySDWJMXYNHMWJOP-UHFFFAOYSA-N
XLogP0.27
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-diethylpyrazol-3-one?
The IUPAC name of 4-amino-1,2-diethylpyrazol-3-one (CID 23158454) is 4-amino-1,2-diethylpyrazol-3-one.
What is the SMILES notation for 4-amino-1,2-diethylpyrazol-3-one?
The canonical SMILES for 4-amino-1,2-diethylpyrazol-3-one is CCn1cc(N)c(=O)n1CC.
What is the InChIKey of 4-amino-1,2-diethylpyrazol-3-one?
The InChIKey is SDWJMXYNHMWJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-9-5-6(8)7(11)10(9)4-2/h5H,3-4,8H2,1-2H3.
What are the key properties of 4-amino-1,2-diethylpyrazol-3-one?
4-amino-1,2-diethylpyrazol-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-diethylpyrazol-3-one is sourced from PubChem (CID 23158454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).