4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid

C14H15N3O4 — CID 19406266

IUPAC4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
SMILESCCOc1ccccc1C(=O)Nc1cnn(C)c1C(=O)O
InChIInChI=1S/C14H15N3O4/c1-3-21-11-7-5-4-6-9(11)13(18)16-10-8-15-17(2)12(10)14(19)20/h4-8H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyPQZVETNYUPEFLH-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.77
Rot. Bonds5

About 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid

4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 19406266) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
PubChem CID19406266
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
SMILESCCOc1ccccc1C(=O)Nc1cnn(C)c1C(=O)O
InChIInChI=1S/C14H15N3O4/c1-3-21-11-7-5-4-6-9(11)13(18)16-10-8-15-17(2)12(10)14(19)20/h4-8H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyPQZVETNYUPEFLH-UHFFFAOYSA-N
XLogP1.77
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342338
6-[(2-ethoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61319184
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19405997
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412187
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406021
5-[[3-carboxy-4-[(2-ethoxybenzoyl)amino]phenyl]methyl]-2-[(2-ethoxybenzoyl)amino]benzoic acid
CID 17296846
3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate
CID 54689492

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid (CID 19406266) is 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid is CCOc1ccccc1C(=O)Nc1cnn(C)c1C(=O)O.
What is the InChIKey of 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is PQZVETNYUPEFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-21-11-7-5-4-6-9(11)13(18)16-10-8-15-17(2)12(10)14(19)20/h4-8H,3H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid?
4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19406266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).