methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate

C19H16FN3O4 — CID 25284365

IUPACmethyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OC)cc1
InChIInChI=1S/C19H16FN3O4/c1-26-16-11-23(15-9-5-13(20)6-10-15)22-17(16)18(24)21-14-7-3-12(4-8-14)19(25)27-2/h3-11H,1-2H3,(H,21,24)
InChIKeyGZJPRUALAIKANE-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.06
Rot. Bonds5

About methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate

methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate (PubChem CID 25284365) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate
PubChem CID25284365
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Namemethyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OC)cc1
InChIInChI=1S/C19H16FN3O4/c1-26-16-11-23(15-9-5-13(20)6-10-15)22-17(16)18(24)21-14-7-3-12(4-8-14)19(25)27-2/h3-11H,1-2H3,(H,21,24)
InChIKeyGZJPRUALAIKANE-UHFFFAOYSA-N
XLogP3.06
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

4-methoxy-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7992549
4-methoxy-N-(2-methoxy-5-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 7992588
[2-(4-Fluoroanilino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 7997180
(3S)-3-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71462413
4-methoxy-N-(4-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 9534923
4-({3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]acryloyl}amino)benzoic acid
CID 2173003
tert-butyl 4-[3-{[(4-fluorophenyl)amino]carbonyl}-1-(2-methoxyphenyl)-1H-pyrazol-4-yl]-1-piperidinecarboxylate
CID 2984054
2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-methoxy-1-phenyl-1H-pyrazole-3-carboxylate
CID 4794393
N-(4-fluoro-2-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 8378271
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284354
N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284362
methyl 1-(4-(benzyloxy)-1-(4-fluorophenyl)-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 42109794

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate (CID 25284365) is methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OC)cc1.
What is the InChIKey of methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate?
The InChIKey is GZJPRUALAIKANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-26-16-11-23(15-9-5-13(20)6-10-15)22-17(16)18(24)21-14-7-3-12(4-8-14)19(25)27-2/h3-11H,1-2H3,(H,21,24).
What are the key properties of methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate?
methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate has a molecular weight of 369.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(4-fluorophenyl)-4-methoxypyrazole-3-carbonyl]amino]benzoate is sourced from PubChem (CID 25284365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).