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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Related Compounds

ethyl 5-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761505
2-amino-4-methoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 113305163
ethyl 5-[(2-iodobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761486
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19475977
ethyl 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19474982
ethyl 5-[(3,4-dichlorobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761476
ethyl 5-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56540961
ethyl 5-[[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 108761504
ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110480553
ethyl 5-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19477093
ethyl 5-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19440794
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718

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).