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

C20H18FN3O4 — CID 42109731

IUPACmethyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H18FN3O4/c1-3-28-17-12-24(16-10-6-14(21)7-11-16)23-18(17)19(25)22-15-8-4-13(5-9-15)20(26)27-2/h4-12H,3H2,1-2H3,(H,22,25)
InChIKeyHBMMTTJWGMIUGE-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.45
Rot. Bonds6

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

methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate (PubChem CID 42109731) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate
PubChem CID42109731
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Namemethyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H18FN3O4/c1-3-28-17-12-24(16-10-6-14(21)7-11-16)23-18(17)19(25)22-15-8-4-13(5-9-15)20(26)27-2/h4-12H,3H2,1-2H3,(H,22,25)
InChIKeyHBMMTTJWGMIUGE-UHFFFAOYSA-N
XLogP3.45
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 45283989
4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 42109745
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 56847425
N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 42109714
N-cyclopentyl-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 45283984
N-[6-(dimethylamino)-3-pyridinyl]-4-ethoxy-1-phenylpyrazole-3-carboxamide
CID 98407291
1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
CID 42109759
4-ethoxy-1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 30851412
1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide
CID 66610665
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 55892920
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole-3-carboxamide
CID 66611812

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate (CID 42109731) is methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate is CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate?
The InChIKey is HBMMTTJWGMIUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-3-28-17-12-24(16-10-6-14(21)7-11-16)23-18(17)19(25)22-15-8-4-13(5-9-15)20(26)27-2/h4-12H,3H2,1-2H3,(H,22,25).
What are the key properties of methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate?
methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate has a molecular weight of 383.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate is sourced from PubChem (CID 42109731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).