2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate

C20H17F2N3O3 — CID 2320426

IUPAC2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate
SMILESCc1cc(NC(=O)c2ccc(F)cc2)n(CCOC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C20H17F2N3O3/c1-13-12-18(23-19(26)14-2-6-16(21)7-3-14)25(24-13)10-11-28-20(27)15-4-8-17(22)9-5-15/h2-9,12H,10-11H2,1H3,(H,23,26)
InChIKeyCJHPJNPDVJCFLP-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.58
Rot. Bonds6

About 2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate

2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate (PubChem CID 2320426) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate.

Molecular Properties

Compound Name2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate
PubChem CID2320426
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate
SMILESCc1cc(NC(=O)c2ccc(F)cc2)n(CCOC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C20H17F2N3O3/c1-13-12-18(23-19(26)14-2-6-16(21)7-3-14)25(24-13)10-11-28-20(27)15-4-8-17(22)9-5-15/h2-9,12H,10-11H2,1H3,(H,23,26)
InChIKeyCJHPJNPDVJCFLP-UHFFFAOYSA-N
XLogP3.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methyl-5-[(4-nitrobenzoyl)amino]pyrazol-1-yl]ethyl 4-nitrobenzoate
CID 2315647
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 71943624
4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805768
4-fluoro-N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]benzamide
CID 23959240
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
ethyl 4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzoate
CID 138994554
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 51096831
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972
N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide
CID 45284668
ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate
CID 112816924
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-imidazol-1-ylbenzamide
CID 172890573
2-methylsulfanylethyl 4-fluorobenzoate
CID 78790536

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate?
The IUPAC name of 2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate (CID 2320426) is 2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate.
What is the SMILES notation for 2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate?
The canonical SMILES for 2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate is Cc1cc(NC(=O)c2ccc(F)cc2)n(CCOC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate?
The InChIKey is CJHPJNPDVJCFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-13-12-18(23-19(26)14-2-6-16(21)7-3-14)25(24-13)10-11-28-20(27)15-4-8-17(22)9-5-15/h2-9,12H,10-11H2,1H3,(H,23,26).
What are the key properties of 2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate?
2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate has a molecular weight of 385.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate is sourced from PubChem (CID 2320426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).