ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate

C15H18N4O4 — CID 110451725

IUPACethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C15H18N4O4/c1-4-23-15(21)11-8-17-19(2)13(11)18-14(20)10-6-5-9(22-3)7-12(10)16/h5-8H,4,16H2,1-3H3,(H,18,20)
InChIKeyRGSDJWLMDWKKOI-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.44
Rot. Bonds5

About ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate

ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate (PubChem CID 110451725) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
PubChem CID110451725
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Nameethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)c1ccc(OC)cc1N
InChIInChI=1S/C15H18N4O4/c1-4-23-15(21)11-8-17-19(2)13(11)18-14(20)10-6-5-9(22-3)7-12(10)16/h5-8H,4,16H2,1-3H3,(H,18,20)
InChIKeyRGSDJWLMDWKKOI-UHFFFAOYSA-N
XLogP1.44
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate (CID 110451725) is ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)c1ccc(OC)cc1N.
What is the InChIKey of ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate?
The InChIKey is RGSDJWLMDWKKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-4-23-15(21)11-8-17-19(2)13(11)18-14(20)10-6-5-9(22-3)7-12(10)16/h5-8H,4,16H2,1-3H3,(H,18,20).
What are the key properties of ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate?
ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 110451725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).