4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid

C15H17N3O4 — CID 136546905

IUPAC4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C15H17N3O4/c1-4-18-12(7-9(2)17-18)14(19)16-10-5-6-11(15(20)21)13(8-10)22-3/h5-8H,4H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyJXCMBHUIDIINRL-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.17
Rot. Bonds5

About 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid

4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid (PubChem CID 136546905) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid
PubChem CID136546905
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C15H17N3O4/c1-4-18-12(7-9(2)17-18)14(19)16-10-5-6-11(15(20)21)13(8-10)22-3/h5-8H,4H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyJXCMBHUIDIINRL-UHFFFAOYSA-N
XLogP2.17
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 66126977
N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 113278409
N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 5299210
N-(3-carbamothioyl-4-fluorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66129104
2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide
CID 131946446
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
2-ethyl-N-(3-fluoro-4-methylsulfonylphenyl)-5-methylpyrazole-3-carboxamide
CID 71999243
2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 77113127
2-ethyl-N-(9-ethylcarbazol-3-yl)-5-methylpyrazole-3-carboxamide
CID 60619206
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209438
4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208712
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid (CID 136546905) is 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid is CCn1nc(C)cc1C(=O)Nc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid?
The InChIKey is JXCMBHUIDIINRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-4-18-12(7-9(2)17-18)14(19)16-10-5-6-11(15(20)21)13(8-10)22-3/h5-8H,4H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid?
4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid has a molecular weight of 303.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid is sourced from PubChem (CID 136546905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).