2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid

C14H15N3O4 — CID 102801339

IUPAC2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)c2cn(C)nc2C)c(C(=O)O)c1
InChIInChI=1S/C14H15N3O4/c1-8-11(7-17(2)16-8)13(18)15-12-5-4-9(21-3)6-10(12)14(19)20/h4-7H,1-3H3,(H,15,18)(H,19,20)
InChIKeyWMGLVXGFLJQLCY-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.69
Rot. Bonds4

About 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid

2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid (PubChem CID 102801339) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
PubChem CID102801339
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)c2cn(C)nc2C)c(C(=O)O)c1
InChIInChI=1S/C14H15N3O4/c1-8-11(7-17(2)16-8)13(18)15-12-5-4-9(21-3)6-10(12)14(19)20/h4-7H,1-3H3,(H,15,18)(H,19,20)
InChIKeyWMGLVXGFLJQLCY-UHFFFAOYSA-N
XLogP1.69
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
CID 75513355
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 78980914
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
5-methoxy-2-[(1-methylpyrazol-3-yl)carbamoylamino]benzoic acid
CID 115412123
5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid
CID 115412093
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzamide
CID 107463102

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid?
The IUPAC name of 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid (CID 102801339) is 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid is COc1ccc(NC(=O)c2cn(C)nc2C)c(C(=O)O)c1.
What is the InChIKey of 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid?
The InChIKey is WMGLVXGFLJQLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8-11(7-17(2)16-8)13(18)15-12-5-4-9(21-3)6-10(12)14(19)20/h4-7H,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid?
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid has a molecular weight of 289.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid is sourced from PubChem (CID 102801339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).