4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one

C9H14N4O2 — CID 151222079

IUPAC4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one
SMILESCn1c(N2CCCC2=O)c(N)c(=O)n1C
InChIInChI=1S/C9H14N4O2/c1-11-8(7(10)9(15)12(11)2)13-5-3-4-6(13)14/h3-5,10H2,1-2H3
InChIKeyNMMSLAGZUDJUGE-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.57
Rot. Bonds1

About 4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one

4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one (PubChem CID 151222079) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one.

Molecular Properties

Compound Name4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one
PubChem CID151222079
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one
SMILESCn1c(N2CCCC2=O)c(N)c(=O)n1C
InChIInChI=1S/C9H14N4O2/c1-11-8(7(10)9(15)12(11)2)13-5-3-4-6(13)14/h3-5,10H2,1-2H3
InChIKeyNMMSLAGZUDJUGE-UHFFFAOYSA-N
XLogP-0.57
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one
CID 129236566
1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
CID 50742723
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one
CID 12833278
1-(cyclopropen-1-yl)pyrrolidin-2-one
CID 147715562
1-(4-iodo-2-methylphenyl)pyrrolidin-2-one
CID 146014874
1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897
1-methylpyrrolidin-2-one;urea
CID 141281161
ethane-1,2-diamine;1-methylpyrrolidin-2-one
CID 158124150
methanethiol;1-methylpyrrolidin-2-one
CID 174894965
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one?
The IUPAC name of 4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one (CID 151222079) is 4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one.
What is the SMILES notation for 4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one?
The canonical SMILES for 4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one is Cn1c(N2CCCC2=O)c(N)c(=O)n1C.
What is the InChIKey of 4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one?
The InChIKey is NMMSLAGZUDJUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-11-8(7(10)9(15)12(11)2)13-5-3-4-6(13)14/h3-5,10H2,1-2H3.
What are the key properties of 4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one?
4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one has a molecular weight of 210.24 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-dimethyl-5-(2-oxopyrrolidin-1-yl)pyrazol-3-one is sourced from PubChem (CID 151222079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).