4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid

C13H13N3O5 — CID 118714302

IUPAC4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)O
InChIInChI=1S/C13H13N3O5/c1-20-8-4-3-5-9(21-2)10(8)12(17)15-7-6-14-16-11(7)13(18)19/h3-6H,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyKWLUBAIPGBORKL-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.38
Rot. Bonds5

About 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid

4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 118714302) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID118714302
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)O
InChIInChI=1S/C13H13N3O5/c1-20-8-4-3-5-9(21-2)10(8)12(17)15-7-6-14-16-11(7)13(18)19/h3-6H,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyKWLUBAIPGBORKL-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid (CID 118714302) is 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid is COc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)O.
What is the InChIKey of 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is KWLUBAIPGBORKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-20-8-4-3-5-9(21-2)10(8)12(17)15-7-6-14-16-11(7)13(18)19/h3-6H,1-2H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
4-[(2,6-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 4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 118714302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).