ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate

C15H16FN3O3 — CID 154756470

IUPACethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccnn2C)c(F)cc1C
InChIInChI=1S/C15H16FN3O3/c1-4-22-15(21)10-8-12(11(16)7-9(10)2)18-14(20)13-5-6-17-19(13)3/h5-8H,4H2,1-3H3,(H,18,20)
InChIKeyJBINPNGUSRSLBX-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.30
Rot. Bonds4

About ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate

ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate (PubChem CID 154756470) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate
PubChem CID154756470
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Nameethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccnn2C)c(F)cc1C
InChIInChI=1S/C15H16FN3O3/c1-4-22-15(21)10-8-12(11(16)7-9(10)2)18-14(20)13-5-6-17-19(13)3/h5-8H,4H2,1-3H3,(H,18,20)
InChIKeyJBINPNGUSRSLBX-UHFFFAOYSA-N
XLogP2.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-5-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 60829589
ethyl 3-bromo-4-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 43664920
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
methyl 4-methyl-3-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 6467487
N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 75484643
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661
N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 157051605
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802778
diethyl 3-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 995667
N-[5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 142520449
ethyl 4-fluoro-2-methyl-5-[[(3S)-oxolane-3-carbonyl]amino]benzoate
CID 100643309
1-ethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 4772781

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate (CID 154756470) is ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate is CCOC(=O)c1cc(NC(=O)c2ccnn2C)c(F)cc1C.
What is the InChIKey of ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate?
The InChIKey is JBINPNGUSRSLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-4-22-15(21)10-8-12(11(16)7-9(10)2)18-14(20)13-5-6-17-19(13)3/h5-8H,4H2,1-3H3,(H,18,20).
What are the key properties of ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate?
ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate has a molecular weight of 305.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 154756470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).