2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid

C12H11N3O4 — CID 110467839

IUPAC2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2=NNC(=O)C2)cc1
InChIInChI=1S/C12H11N3O4/c16-10-6-9(14-15-10)12(19)13-8-3-1-7(2-4-8)5-11(17)18/h1-4H,5-6H2,(H,13,19)(H,15,16)(H,17,18)
InChIKeyCLHNSYLVMNDDEC-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.13
Rot. Bonds4

About 2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid

2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 110467839) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid
PubChem CID110467839
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2=NNC(=O)C2)cc1
InChIInChI=1S/C12H11N3O4/c16-10-6-9(14-15-10)12(19)13-8-3-1-7(2-4-8)5-11(17)18/h1-4H,5-6H2,(H,13,19)(H,15,16)(H,17,18)
InChIKeyCLHNSYLVMNDDEC-UHFFFAOYSA-N
XLogP0.13
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopentylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467879
N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467708
N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467706
2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 43358512
N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 167766294
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 62536488
N-[[4-(dimethylamino)phenyl]methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467832
2-[4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 28741876
2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid
CID 122423584
2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 24710537
N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 22107791
2-[4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]phenyl]acetic acid
CID 24696781

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid (CID 110467839) is 2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)C2=NNC(=O)C2)cc1.
What is the InChIKey of 2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is CLHNSYLVMNDDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-10-6-9(14-15-10)12(19)13-8-3-1-7(2-4-8)5-11(17)18/h1-4H,5-6H2,(H,13,19)(H,15,16)(H,17,18).
What are the key properties of 2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid?
2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid has a molecular weight of 261.24 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 110467839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).