4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid

C12H11N3O4 — CID 43246414

IUPAC4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid
SMILESNC(=O)COc1cn(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C12H11N3O4/c13-10(16)7-19-9-6-15(14-11(9)12(17)18)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,16)(H,17,18)
InChIKeyCQDUGAYOEWOMBC-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.43
Rot. Bonds5

About 4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid

4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid (PubChem CID 43246414) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid
PubChem CID43246414
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid
SMILESNC(=O)COc1cn(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C12H11N3O4/c13-10(16)7-19-9-6-15(14-11(9)12(17)18)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,16)(H,17,18)
InChIKeyCQDUGAYOEWOMBC-UHFFFAOYSA-N
XLogP0.43
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic 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

4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
1-phenyl-4-(3,3,3-trifluoropropoxy)pyrazole-3-carboxylic acid
CID 64552674
4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 43310291
4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 60870347
2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 1486531
ethyl 4-[2-(2-methylphenyl)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55866779
ethyl 4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55750217
ethyl 4-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55750703
ethyl 4-[2-(2-chloroanilino)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 60519498
ethyl 4-[2-(cyclooctylamino)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55750602
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
ethyl 4-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 60519479

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid (CID 43246414) is 4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid is NC(=O)COc1cn(-c2ccccc2)nc1C(=O)O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is CQDUGAYOEWOMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c13-10(16)7-19-9-6-15(14-11(9)12(17)18)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,16)(H,17,18).
What are the key properties of 4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid?
4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 43246414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).