1,2-diethyl-4-(ethylamino)pyrazol-3-one

C9H17N3O — CID 20699044

IUPAC1,2-diethyl-4-(ethylamino)pyrazol-3-one
SMILESCCNc1cn(CC)n(CC)c1=O
InChIInChI=1S/C9H17N3O/c1-4-10-8-7-11(5-2)12(6-3)9(8)13/h7,10H,4-6H2,1-3H3
InChIKeyDAROLYGSZHEQER-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.12
Rot. Bonds4

About 1,2-diethyl-4-(ethylamino)pyrazol-3-one

1,2-diethyl-4-(ethylamino)pyrazol-3-one (PubChem CID 20699044) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1,2-diethyl-4-(ethylamino)pyrazol-3-one.

Molecular Properties

Compound Name1,2-diethyl-4-(ethylamino)pyrazol-3-one
PubChem CID20699044
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1,2-diethyl-4-(ethylamino)pyrazol-3-one
SMILESCCNc1cn(CC)n(CC)c1=O
InChIInChI=1S/C9H17N3O/c1-4-10-8-7-11(5-2)12(6-3)9(8)13/h7,10H,4-6H2,1-3H3
InChIKeyDAROLYGSZHEQER-UHFFFAOYSA-N
XLogP1.12
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4-(ethylamino)pyrazol-3-one?
The IUPAC name of 1,2-diethyl-4-(ethylamino)pyrazol-3-one (CID 20699044) is 1,2-diethyl-4-(ethylamino)pyrazol-3-one.
What is the SMILES notation for 1,2-diethyl-4-(ethylamino)pyrazol-3-one?
The canonical SMILES for 1,2-diethyl-4-(ethylamino)pyrazol-3-one is CCNc1cn(CC)n(CC)c1=O.
What is the InChIKey of 1,2-diethyl-4-(ethylamino)pyrazol-3-one?
The InChIKey is DAROLYGSZHEQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-10-8-7-11(5-2)12(6-3)9(8)13/h7,10H,4-6H2,1-3H3.
What are the key properties of 1,2-diethyl-4-(ethylamino)pyrazol-3-one?
1,2-diethyl-4-(ethylamino)pyrazol-3-one has a molecular weight of 183.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4-(ethylamino)pyrazol-3-one is sourced from PubChem (CID 20699044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).