1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one

C12H23N3O2 — CID 57357741

IUPAC1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one
SMILESCCCN(CCC)CC(=O)N1NC(=O)CC1C
InChIInChI=1S/C12H23N3O2/c1-4-6-14(7-5-2)9-12(17)15-10(3)8-11(16)13-15/h10H,4-9H2,1-3H3,(H,13,16)
InChIKeyZNQQPBBXFGKZML-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.76
Rot. Bonds6

About 1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one

1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one (PubChem CID 57357741) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one.

Molecular Properties

Compound Name1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one
PubChem CID57357741
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one
SMILESCCCN(CCC)CC(=O)N1NC(=O)CC1C
InChIInChI=1S/C12H23N3O2/c1-4-6-14(7-5-2)9-12(17)15-10(3)8-11(16)13-15/h10H,4-9H2,1-3H3,(H,13,16)
InChIKeyZNQQPBBXFGKZML-UHFFFAOYSA-N
XLogP0.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-oxopyrrolidin-1-yl)butanehydrazide
CID 11148119
(S)-2-amino-3,3-dimethyl-1-(pyrazolidin-1-yl)butan-1-one
CID 44433956
N-[1-(2-acetylhydrazinyl)-1-oxobutan-2-yl]-N-ethylcarbamoyl fluoride
CID 145324111
4-Ethyl-2,5-dioxoimidazolidine-1,3-di(propionohydrazide)
CID 44152130
2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
CID 130909256
2-(3-Fluoropyrrolidin-1-yl)butanehydrazide
CID 164657946
2-(5-methyl-3-oxopyrazolidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 24248793
1-Acetyl-5-methylpyrazolidin-3-one
CID 119098046
2-(2-Methyl-5-oxopyrrolidin-1-yl)acetohydrazide
CID 13150922
2-[Acetyl-(2-oxopyrrolidin-1-yl)amino]propanamide
CID 21311663
3-[3-(4-Hydrazinyl-4-oxobutan-2-yl)-2-oxoimidazolidin-1-yl]butanehydrazide
CID 23136087
1-(Methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione
CID 59042133

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one?
The IUPAC name of 1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one (CID 57357741) is 1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one.
What is the SMILES notation for 1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one?
The canonical SMILES for 1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one is CCCN(CCC)CC(=O)N1NC(=O)CC1C.
What is the InChIKey of 1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one?
The InChIKey is ZNQQPBBXFGKZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-6-14(7-5-2)9-12(17)15-10(3)8-11(16)13-15/h10H,4-9H2,1-3H3,(H,13,16).
What are the key properties of 1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one?
1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one has a molecular weight of 241.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dipropylamino)acetyl]-5-methylpyrazolidin-3-one is sourced from PubChem (CID 57357741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).