ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate

C8H12N2O3 — CID 14458247

IUPACethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate
SMILESCCOC(=O)CC1=NN(C)C(=O)C1
InChIInChI=1S/C8H12N2O3/c1-3-13-8(12)5-6-4-7(11)10(2)9-6/h3-5H2,1-2H3
InChIKeyKONMQCPLVXZNPM-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.16
Rot. Bonds3

About ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate

ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate (PubChem CID 14458247) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate
PubChem CID14458247
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate
SMILESCCOC(=O)CC1=NN(C)C(=O)C1
InChIInChI=1S/C8H12N2O3/c1-3-13-8(12)5-6-4-7(11)10(2)9-6/h3-5H2,1-2H3
InChIKeyKONMQCPLVXZNPM-UHFFFAOYSA-N
XLogP0.16
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methyl-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetic acid
CID 43133798
Ethyl 6-oxo-1-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydro-pyridazine-3-carboxylate
CID 67150852
2-(2,2,2-Trifluoroethoxy)ethyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 56785732
5-(2-ethoxyethyl)-2-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 91693999
methyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate
CID 13139976
Methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 25628855
Methyl 1,5-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 139512243
1-Methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 7131583
ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate
CID 14458249
ethyl 2-(1-tert-butyl-5-oxo-4H-pyrazol-3-yl)acetate
CID 14458250
ethyl 2-(1-acetyl-5-oxo-4H-pyrazol-3-yl)acetate
CID 46734655
2-Ethoxyethyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 52543984

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate?
The IUPAC name of ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate (CID 14458247) is ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate is CCOC(=O)CC1=NN(C)C(=O)C1.
What is the InChIKey of ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate?
The InChIKey is KONMQCPLVXZNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-13-8(12)5-6-4-7(11)10(2)9-6/h3-5H2,1-2H3.
What are the key properties of ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate?
ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate has a molecular weight of 184.19 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methyl-5-oxo-4H-pyrazol-3-yl)acetate is sourced from PubChem (CID 14458247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).