2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide

C24H20FN3O2 — CID 46704783

IUPAC2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1
InChIInChI=1S/C24H20FN3O2/c1-2-30-22-14-7-6-13-20(22)24(29)26-23-16-21(17-9-4-3-5-10-17)27-28(23)19-12-8-11-18(25)15-19/h3-16H,2H2,1H3,(H,26,29)
InChIKeyMBXATGQFWBYGEC-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.33
Rot. Bonds6

About 2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide

2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide (PubChem CID 46704783) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
PubChem CID46704783
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1
InChIInChI=1S/C24H20FN3O2/c1-2-30-22-14-7-6-13-20(22)24(29)26-23-16-21(17-9-4-3-5-10-17)27-28(23)19-12-8-11-18(25)15-19/h3-16H,2H2,1H3,(H,26,29)
InChIKeyMBXATGQFWBYGEC-UHFFFAOYSA-N
XLogP5.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-3-(4-fluoro-phenyl)-urea
CID 135423938
(2S)-24-(azetidin-1-yl)-11-fluoro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione
CID 162651507
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2353715
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
4-{2-[(4-fluorobenzyl)oxy]phenyl}-1-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653065
4-{2-[(2-fluorobenzyl)oxy]phenyl}-1-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653291
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
CID 44448326
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 44448347
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-4-fluoro-benzamide
CID 135406502
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-9H-xanthene-9-carboxamide
CID 135735901

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide (CID 46704783) is 2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide is CCOc1ccccc1C(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1.
What is the InChIKey of 2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide?
The InChIKey is MBXATGQFWBYGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-2-30-22-14-7-6-13-20(22)24(29)26-23-16-21(17-9-4-3-5-10-17)27-28(23)19-12-8-11-18(25)15-19/h3-16H,2H2,1H3,(H,26,29).
What are the key properties of 2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide?
2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide has a molecular weight of 401.44 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 46704783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).