[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate

C20H16F2N2O3 — CID 27031347

IUPAC[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
SMILESO=C(CCc1cnn(-c2ccccc2)c1)OCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H16F2N2O3/c21-17-8-7-15(10-18(17)22)19(25)13-27-20(26)9-6-14-11-23-24(12-14)16-4-2-1-3-5-16/h1-5,7-8,10-12H,6,9,13H2
InChIKeyLCGLQTWSXNZBJA-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.51
Rot. Bonds7

About [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate

[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate (PubChem CID 27031347) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
PubChem CID27031347
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
SMILESO=C(CCc1cnn(-c2ccccc2)c1)OCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H16F2N2O3/c21-17-8-7-15(10-18(17)22)19(25)13-27-20(26)9-6-14-11-23-24(12-14)16-4-2-1-3-5-16/h1-5,7-8,10-12H,6,9,13H2
InChIKeyLCGLQTWSXNZBJA-UHFFFAOYSA-N
XLogP3.51
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46639050
(4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
CID 27318826
(2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
CID 55441869
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031416
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46639287
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031215
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46638803
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031247
[2-(3-cyanoanilino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031201
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27236576
[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46685666

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate?
The IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate (CID 27031347) is [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate.
What is the SMILES notation for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate?
The canonical SMILES for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate is O=C(CCc1cnn(-c2ccccc2)c1)OCC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate?
The InChIKey is LCGLQTWSXNZBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c21-17-8-7-15(10-18(17)22)19(25)13-27-20(26)9-6-14-11-23-24(12-14)16-4-2-1-3-5-16/h1-5,7-8,10-12H,6,9,13H2.
What are the key properties of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate?
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate has a molecular weight of 370.36 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate is sourced from PubChem (CID 27031347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).