2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid

C19H17N3O4 — CID 108741734

IUPAC2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
SMILESCc1c(C(=O)Nc2cc(CC(=O)O)ccc2O)cnn1-c1ccccc1
InChIInChI=1S/C19H17N3O4/c1-12-15(11-20-22(12)14-5-3-2-4-6-14)19(26)21-16-9-13(10-18(24)25)7-8-17(16)23/h2-9,11,23H,10H2,1H3,(H,21,26)(H,24,25)
InChIKeySSUHZJBHYBUENK-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.77
Rot. Bonds5

About 2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid

2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 108741734) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
PubChem CID108741734
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
SMILESCc1c(C(=O)Nc2cc(CC(=O)O)ccc2O)cnn1-c1ccccc1
InChIInChI=1S/C19H17N3O4/c1-12-15(11-20-22(12)14-5-3-2-4-6-14)19(26)21-16-9-13(10-18(24)25)7-8-17(16)23/h2-9,11,23H,10H2,1H3,(H,21,26)(H,24,25)
InChIKeySSUHZJBHYBUENK-UHFFFAOYSA-N
XLogP2.77
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 86912856
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
1-[4-(carboxymethyl)phenyl]-5-methylpyrazole-4-carboxylic acid
CID 82361094
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791923
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 24555312
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid (CID 108741734) is 2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid is Cc1c(C(=O)Nc2cc(CC(=O)O)ccc2O)cnn1-c1ccccc1.
What is the InChIKey of 2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
The InChIKey is SSUHZJBHYBUENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-15(11-20-22(12)14-5-3-2-4-6-14)19(26)21-16-9-13(10-18(24)25)7-8-17(16)23/h2-9,11,23H,10H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 351.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 108741734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).