4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid

C10H13N3O5 — CID 15703585

IUPAC4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid
SMILESCCOC(=O)c1cn[nH]c1NC(=O)CCC(=O)O
InChIInChI=1S/C10H13N3O5/c1-2-18-10(17)6-5-11-13-9(6)12-7(14)3-4-8(15)16/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyCBDGEATWDJDYFP-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.39
Rot. Bonds6

About 4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid

4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid (PubChem CID 15703585) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid
PubChem CID15703585
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid
SMILESCCOC(=O)c1cn[nH]c1NC(=O)CCC(=O)O
InChIInChI=1S/C10H13N3O5/c1-2-18-10(17)6-5-11-13-9(6)12-7(14)3-4-8(15)16/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyCBDGEATWDJDYFP-UHFFFAOYSA-N
XLogP0.39
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid 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

3-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-3-oxopropanoic acid
CID 110480106
ethyl 5-(3-methylbutanoylamino)-1H-pyrazole-4-carboxylate
CID 110470734
ethyl 5-[(2-amino-2-methylpropanoyl)amino]-1H-pyrazole-4-carboxylate
CID 110479995
ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate
CID 110482748
6-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19587998
5-(5-carboxypentanoylamino)-1H-pyrazole-4-carboxylic acid
CID 110483477
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
dimethyl 2-[[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-methylsulfanylmethylidene]propanedioate
CID 10337486
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate
CID 110471741
ethyl 5-[(E)-1-(hydroxyamino)ethylideneamino]-1H-pyrazole-4-carboxylate
CID 18355211
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid (CID 15703585) is 4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid is CCOC(=O)c1cn[nH]c1NC(=O)CCC(=O)O.
What is the InChIKey of 4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid?
The InChIKey is CBDGEATWDJDYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-18-10(17)6-5-11-13-9(6)12-7(14)3-4-8(15)16/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid?
4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid has a molecular weight of 255.23 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 15703585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).