3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid

C13H13N3O5 — CID 64528227

IUPAC3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)cc1OC
InChIInChI=1S/C13H13N3O5/c1-20-9-4-3-7(5-10(9)21-2)12(17)14-11-6-8(13(18)19)15-16-11/h3-6H,1-2H3,(H,18,19)(H2,14,15,16,17)
InChIKeySLNSJXIQLKXAFB-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.38
Rot. Bonds5

About 3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64528227) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64528227
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)cc1OC
InChIInChI=1S/C13H13N3O5/c1-20-9-4-3-7(5-10(9)21-2)12(17)14-11-6-8(13(18)19)15-16-11/h3-6H,1-2H3,(H,18,19)(H2,14,15,16,17)
InChIKeySLNSJXIQLKXAFB-UHFFFAOYSA-N
XLogP1.38
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527065
3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528247
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528846
3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528240
N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526690
3-[(3-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528441
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
3-[[3-(difluoromethoxy)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526280
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528251

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64528227) is 3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid is COc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is SLNSJXIQLKXAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-20-9-4-3-7(5-10(9)21-2)12(17)14-11-6-8(13(18)19)15-16-11/h3-6H,1-2H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 291.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).