methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate

C18H14FN3O3 — CID 45030489

IUPACmethyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H14FN3O3/c1-25-18(24)13-4-2-3-5-14(13)20-17(23)16-10-15(21-22-16)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,23)(H,21,22)
InChIKeyIWJOEGBBSOWMIW-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.25
Rot. Bonds4

About methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate

methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate (PubChem CID 45030489) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
PubChem CID45030489
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Namemethyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H14FN3O3/c1-25-18(24)13-4-2-3-5-14(13)20-17(23)16-10-15(21-22-16)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,23)(H,21,22)
InChIKeyIWJOEGBBSOWMIW-UHFFFAOYSA-N
XLogP3.25
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(4-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]benzoate
CID 17096031
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate
CID 3571866
dimethyl 2-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]benzene-1,4-dicarboxylate
CID 51047543
dimethyl 2-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]benzene-1,4-dicarboxylate
CID 45030421
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
CID 63109743
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate (CID 45030489) is methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate?
The InChIKey is IWJOEGBBSOWMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-25-18(24)13-4-2-3-5-14(13)20-17(23)16-10-15(21-22-16)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,23)(H,21,22).
What are the key properties of methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate?
methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate has a molecular weight of 339.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate is sourced from PubChem (CID 45030489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).