[2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate

C23H24FN3O3 — CID 24720270

IUPAC[2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H24FN3O3/c1-15(28)30-21(16-8-6-5-7-9-16)22(29)25-20-14-19(23(2,3)4)26-27(20)18-12-10-17(24)11-13-18/h5-14,21H,1-4H3,(H,25,29)
InChIKeyQJTAKJZJBLZVDK-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.55
Rot. Bonds5

About [2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate

[2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate (PubChem CID 24720270) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is [2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate
PubChem CID24720270
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name[2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H24FN3O3/c1-15(28)30-21(16-8-6-5-7-9-16)22(29)25-20-14-19(23(2,3)4)26-27(20)18-12-10-17(24)11-13-18/h5-14,21H,1-4H3,(H,25,29)
InChIKeyQJTAKJZJBLZVDK-UHFFFAOYSA-N
XLogP4.55
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate with MolForge

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Related Compounds

(2R)-N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-chloro-2-phenylacetamide
CID 6548930
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CID 142696740
3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine
CID 137395749
4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]butanoic acid
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N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-5-methoxypentanamide
CID 86871838
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide
CID 42658218
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid
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N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-4-methyl-3-methylsulfonylbenzamide
CID 47047157
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46427596
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
CID 4259022
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate (CID 24720270) is [2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate is CC(=O)OC(C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate?
The InChIKey is QJTAKJZJBLZVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-15(28)30-21(16-8-6-5-7-9-16)22(29)25-20-14-19(23(2,3)4)26-27(20)18-12-10-17(24)11-13-18/h5-14,21H,1-4H3,(H,25,29).
What are the key properties of [2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate?
[2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate has a molecular weight of 409.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 24720270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).