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

C9H14N4O — CID 168699870

IUPAC4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one
SMILESCc1[nH]nc(N2CC(N)CC2=O)c1C
InChIInChI=1S/C9H14N4O/c1-5-6(2)11-12-9(5)13-4-7(10)3-8(13)14/h7H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyDTKMLOIUGQTKBC-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.09
Rot. Bonds1

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

4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one (PubChem CID 168699870) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one
PubChem CID168699870
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one
SMILESCc1[nH]nc(N2CC(N)CC2=O)c1C
InChIInChI=1S/C9H14N4O/c1-5-6(2)11-12-9(5)13-4-7(10)3-8(13)14/h7H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyDTKMLOIUGQTKBC-UHFFFAOYSA-N
XLogP0.09
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168702622
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656987
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714641
4-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 83531050
4-chloro-1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168687559
1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696300
[1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676235
4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one
CID 168699602
1-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-4-sulfanylpyrrolidin-2-one
CID 168709129
3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyrazole-4-carbonitrile
CID 168656986
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700414
4-amino-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
CID 168701229

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one (CID 168699870) is 4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one is Cc1[nH]nc(N2CC(N)CC2=O)c1C.
What is the InChIKey of 4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is DTKMLOIUGQTKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-5-6(2)11-12-9(5)13-4-7(10)3-8(13)14/h7H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one?
4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168699870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).