methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate

C13H12FN3O3 — CID 63998429

IUPACmethyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)c2cn[nH]c2C)c1
InChIInChI=1S/C13H12FN3O3/c1-7-9(6-15-17-7)12(18)16-11-5-8(13(19)20-2)3-4-10(11)14/h3-6H,1-2H3,(H,15,17)(H,16,18)
InChIKeyZWJMXDLSHAPGHL-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.90
Rot. Bonds3

About methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate

methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate (PubChem CID 63998429) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
PubChem CID63998429
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Namemethyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)c2cn[nH]c2C)c1
InChIInChI=1S/C13H12FN3O3/c1-7-9(6-15-17-7)12(18)16-11-5-8(13(19)20-2)3-4-10(11)14/h3-6H,1-2H3,(H,15,17)(H,16,18)
InChIKeyZWJMXDLSHAPGHL-UHFFFAOYSA-N
XLogP1.90
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63997003
5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63998435
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate
CID 106852805
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103754876
methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate
CID 7920475
N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63939091
methyl 3-[(5-bromopyridine-2-carbonyl)amino]-4-fluorobenzoate
CID 62953371
methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate
CID 43048612
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
methyl 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-fluorobenzoate
CID 62793074

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate (CID 63998429) is methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate is COC(=O)c1ccc(F)c(NC(=O)c2cn[nH]c2C)c1.
What is the InChIKey of methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate?
The InChIKey is ZWJMXDLSHAPGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-7-9(6-15-17-7)12(18)16-11-5-8(13(19)20-2)3-4-10(11)14/h3-6H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate?
methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate has a molecular weight of 277.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 63998429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).