3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid

C12H10N2O4 — CID 82374698

IUPAC3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccccc1C(=O)c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C12H10N2O4/c1-18-10-5-3-2-4-7(10)11(15)8-6-9(12(16)17)14-13-8/h2-6H,1H3,(H,13,14)(H,16,17)
InChIKeyPMJYWHOXDGGWND-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.35
Rot. Bonds4

About 3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid

3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 82374698) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid
PubChem CID82374698
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccccc1C(=O)c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C12H10N2O4/c1-18-10-5-3-2-4-7(10)11(15)8-6-9(12(16)17)14-13-8/h2-6H,1H3,(H,13,14)(H,16,17)
InChIKeyPMJYWHOXDGGWND-UHFFFAOYSA-N
XLogP1.35
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 43340312
gadolinium(3+);bis(1H-pyrazole-3,5-dicarboxylic acid);hydrate
CID 23730641
(4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone
CID 121001131
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
3-(3-tert-butyl-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3521834
3-(2-fluoro-3,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419215
3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117478380
3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135658624
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
3-(3-methoxy-2-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117477464
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid (CID 82374698) is 3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid is COc1ccccc1C(=O)c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is PMJYWHOXDGGWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-18-10-5-3-2-4-7(10)11(15)8-6-9(12(16)17)14-13-8/h2-6H,1H3,(H,13,14)(H,16,17).
What are the key properties of 3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid?
3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxybenzoyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 82374698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).