[2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate

C20H18FN3O3 — CID 7726927

IUPAC[2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
SMILESCNC(=O)COC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C20H18FN3O3/c1-13-3-5-14(6-4-13)19-17(20(26)27-12-18(25)22-2)11-24(23-19)16-9-7-15(21)8-10-16/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyCTAYVHIQOKNYRY-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.89
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate

[2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate (PubChem CID 7726927) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
PubChem CID7726927
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name[2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
SMILESCNC(=O)COC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C20H18FN3O3/c1-13-3-5-14(6-4-13)19-17(20(26)27-12-18(25)22-2)11-24(23-19)16-9-7-15(21)8-10-16/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyCTAYVHIQOKNYRY-UHFFFAOYSA-N
XLogP2.89
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8908453
(2-amino-2-oxoethyl) 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 7726954
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 7726962
[2-(dimethylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 7726915
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 9491328
[2-(2-cyanoethylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 7726911
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7847187
[2-(carbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate
CID 7800945
(2-amino-2-oxoethyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 2580785
[2-(3-methoxypropylamino)-2-oxoethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 8820496
methyl 2-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 27682175
N'-(2,5-dimethylfuran-3-carbonyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 26247367

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate (CID 7726927) is [2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate is CNC(=O)COC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate?
The InChIKey is CTAYVHIQOKNYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-13-3-5-14(6-4-13)19-17(20(26)27-12-18(25)22-2)11-24(23-19)16-9-7-15(21)8-10-16/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of [2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate?
[2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate has a molecular weight of 367.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 7726927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).