[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate

C19H16FN3O3 — CID 7758782

IUPAC[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate
SMILESCc1cc(NC(=O)COC(=O)c2cccc(F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16FN3O3/c1-13-10-17(23(22-13)16-8-3-2-4-9-16)21-18(24)12-26-19(25)14-6-5-7-15(20)11-14/h2-11H,12H2,1H3,(H,21,24)
InChIKeyBWLPGONRZOSEMM-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.12
Rot. Bonds5

About [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate

[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate (PubChem CID 7758782) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate
PubChem CID7758782
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate
SMILESCc1cc(NC(=O)COC(=O)c2cccc(F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16FN3O3/c1-13-10-17(23(22-13)16-8-3-2-4-9-16)21-18(24)12-26-19(25)14-6-5-7-15(20)11-14/h2-11H,12H2,1H3,(H,21,24)
InChIKeyBWLPGONRZOSEMM-UHFFFAOYSA-N
XLogP3.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate
CID 16276659
[2-(2-Fluoroanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 4791006
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
[2-Oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 4-cyanobenzoate
CID 2531633
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 4802531
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 4802711
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 4802738
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-acetamidobenzoate
CID 8821117
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 24981893
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 24982767
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 2352192
[2-(2-Fluoro-4-methylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 4791067

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate?
The IUPAC name of [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate (CID 7758782) is [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate is Cc1cc(NC(=O)COC(=O)c2cccc(F)c2)n(-c2ccccc2)n1.
What is the InChIKey of [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is BWLPGONRZOSEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-13-10-17(23(22-13)16-8-3-2-4-9-16)21-18(24)12-26-19(25)14-6-5-7-15(20)11-14/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate?
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate has a molecular weight of 353.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-fluorobenzoate is sourced from PubChem (CID 7758782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).