4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one

C11H23N5O — CID 23104180

IUPAC4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one
SMILESCCn1c(NCCN(C)C)c(N)c(=O)n1CC
InChIInChI=1S/C11H23N5O/c1-5-15-10(13-7-8-14(3)4)9(12)11(17)16(15)6-2/h13H,5-8,12H2,1-4H3
InChIKeyDAKDTPOBBTVCPX-UHFFFAOYSA-N
MW241.34 g/mol
LogP0.25
Rot. Bonds6

About 4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one

4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one (PubChem CID 23104180) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one
PubChem CID23104180
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Name4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one
SMILESCCn1c(NCCN(C)C)c(N)c(=O)n1CC
InChIInChI=1S/C11H23N5O/c1-5-15-10(13-7-8-14(3)4)9(12)11(17)16(15)6-2/h13H,5-8,12H2,1-4H3
InChIKeyDAKDTPOBBTVCPX-UHFFFAOYSA-N
XLogP0.25
TPSA68.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one?
The IUPAC name of 4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one (CID 23104180) is 4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one?
The canonical SMILES for 4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one is CCn1c(NCCN(C)C)c(N)c(=O)n1CC.
What is the InChIKey of 4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one?
The InChIKey is DAKDTPOBBTVCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-5-15-10(13-7-8-14(3)4)9(12)11(17)16(15)6-2/h13H,5-8,12H2,1-4H3.
What are the key properties of 4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one?
4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one has a molecular weight of 241.34 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one is sourced from PubChem (CID 23104180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).