1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one

C10H14N4O — CID 168685047

IUPAC1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2c(N)n[nH]c2C)C1
InChIInChI=1S/C10H14N4O/c1-3-7-4-8(15)14(5-7)9-6(2)12-13-10(9)11/h3,7H,1,4-5H2,2H3,(H3,11,12,13)
InChIKeyWTIVCEZINBYJER-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.84
Rot. Bonds2

About 1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one

1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one (PubChem CID 168685047) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one
PubChem CID168685047
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2c(N)n[nH]c2C)C1
InChIInChI=1S/C10H14N4O/c1-3-7-4-8(15)14(5-7)9-6(2)12-13-10(9)11/h3,7H,1,4-5H2,2H3,(H3,11,12,13)
InChIKeyWTIVCEZINBYJER-UHFFFAOYSA-N
XLogP0.84
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dibromo-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685536
1-(2,4-dimethyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684838
1-(2-bromo-4-methyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684837
4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
CID 168685096
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
CID 168685589
1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one
CID 168686241
6-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-1,3,5-triazin-2-one
CID 168686629
4-ethenyl-1-(3-fluoro-2-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168684660
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one (CID 168685047) is 1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2c(N)n[nH]c2C)C1.
What is the InChIKey of 1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one?
The InChIKey is WTIVCEZINBYJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-7-4-8(15)14(5-7)9-6(2)12-13-10(9)11/h3,7H,1,4-5H2,2H3,(H3,11,12,13).
What are the key properties of 1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one?
1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methyl-1H-pyrazol-4-yl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168685047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).