ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate

C20H18FN3O3 — CID 2168156

IUPACethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H18FN3O3/c1-2-27-20(26)17-13-22-24(16-6-4-3-5-7-16)19(17)23-18(25)12-14-8-10-15(21)11-9-14/h3-11,13H,2,12H2,1H3,(H,23,25)
InChIKeyQKWADGDRJPSKEW-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.37
Rot. Bonds6

About ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 2168156) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
PubChem CID2168156
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Nameethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H18FN3O3/c1-2-27-20(26)17-13-22-24(16-6-4-3-5-7-16)19(17)23-18(25)12-14-8-10-15(21)11-9-14/h3-11,13H,2,12H2,1H3,(H,23,25)
InChIKeyQKWADGDRJPSKEW-UHFFFAOYSA-N
XLogP3.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate (CID 2168156) is ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is QKWADGDRJPSKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-2-27-20(26)17-13-22-24(16-6-4-3-5-7-16)19(17)23-18(25)12-14-8-10-15(21)11-9-14/h3-11,13H,2,12H2,1H3,(H,23,25).
What are the key properties of ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 367.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 2168156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).