2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid

C19H19N3O5 — CID 135355436

IUPAC2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(-c2cc(OC)ccc2C(=O)O)c1
InChIInChI=1S/C19H19N3O5/c1-4-27-17-8-18(23)21(2)11-15(17)12-9-20-22(10-12)16-7-13(26-3)5-6-14(16)19(24)25/h5-11H,4H2,1-3H3,(H,24,25)
InChIKeyRBZLZCYSLLJZCZ-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.34
Rot. Bonds6

About 2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid

2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid (PubChem CID 135355436) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid
PubChem CID135355436
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(-c2cc(OC)ccc2C(=O)O)c1
InChIInChI=1S/C19H19N3O5/c1-4-27-17-8-18(23)21(2)11-15(17)12-9-20-22(10-12)16-7-13(26-3)5-6-14(16)19(24)25/h5-11H,4H2,1-3H3,(H,24,25)
InChIKeyRBZLZCYSLLJZCZ-UHFFFAOYSA-N
XLogP2.34
TPSA95.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[1-methyl-4-[6-(2-methylpropoxy)-3-pyridinyl]-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid
CID 135355387
4-methoxy-5-(4-methoxyphenyl)-1-methylpyridin-2-one
CID 15144251
4-methyl-2-(4-phenylpyrazol-1-yl)benzoic acid
CID 62770302
4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one
CID 135355125
4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one
CID 175601464
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 62126311
5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82302598
5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid
CID 63975860
3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411954
3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carboxylic acid
CID 61266679
5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 117222176
2-(1,5-dimethylpyrazol-4-yl)-5-methoxybenzoic acid
CID 66098475

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid?
The IUPAC name of 2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid (CID 135355436) is 2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid?
The canonical SMILES for 2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid is CCOc1cc(=O)n(C)cc1-c1cnn(-c2cc(OC)ccc2C(=O)O)c1.
What is the InChIKey of 2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid?
The InChIKey is RBZLZCYSLLJZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-4-27-17-8-18(23)21(2)11-15(17)12-9-20-22(10-12)16-7-13(26-3)5-6-14(16)19(24)25/h5-11H,4H2,1-3H3,(H,24,25).
What are the key properties of 2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid?
2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid has a molecular weight of 369.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-4-methoxybenzoic acid is sourced from PubChem (CID 135355436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).