2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid

C11H10N2O4 — CID 45490071

IUPAC2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(-n2[nH]c(C(=O)O)cc2=O)cc1
InChIInChI=1S/C11H10N2O4/c1-17-8-4-2-7(3-5-8)13-10(14)6-9(12-13)11(15)16/h2-6,12H,1H3,(H,15,16)
InChIKeyMJNVRIFFFRUMJB-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.87
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid

2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid (PubChem CID 45490071) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
PubChem CID45490071
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(-n2[nH]c(C(=O)O)cc2=O)cc1
InChIInChI=1S/C11H10N2O4/c1-17-8-4-2-7(3-5-8)13-10(14)6-9(12-13)11(15)16/h2-6,12H,1H3,(H,15,16)
InChIKeyMJNVRIFFFRUMJB-UHFFFAOYSA-N
XLogP0.87
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 66920137
2-(3,4-dimethoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 99988258
2,5-bis(4-methoxyphenyl)-1H-pyrazol-3-one
CID 5311780
3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid
CID 137000087
5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 751024
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 99988508
tert-butyl 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate
CID 18922586
5-methoxy-2-phenyl-1H-pyrazol-3-one
CID 126736456
N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 54252922
5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 15687843
4-(4-methoxyphenyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 83650239
2-(3-chloro-2-methylphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 83548388

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid (CID 45490071) is 2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid is COc1ccc(-n2[nH]c(C(=O)O)cc2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The InChIKey is MJNVRIFFFRUMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-17-8-4-2-7(3-5-8)13-10(14)6-9(12-13)11(15)16/h2-6,12H,1H3,(H,15,16).
What are the key properties of 2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 45490071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).