3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide

C24H19F2N3O2 — CID 135138260

IUPAC3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1cccc(F)c1-c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C24H19F2N3O2/c25-17-11-9-15(10-12-17)20-13-21(29-28-20)23-18(7-4-8-19(23)26)24(31)27-14-22(30)16-5-2-1-3-6-16/h1-13,22,30H,14H2,(H,27,31)(H,28,29)/t22-/m1/s1
InChIKeyJZXDTFAQXHFETM-JOCHJYFZSA-N
MW419.43 g/mol
LogP4.49
Rot. Bonds6

About 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide

3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide (PubChem CID 135138260) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
PubChem CID135138260
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1cccc(F)c1-c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C24H19F2N3O2/c25-17-11-9-15(10-12-17)20-13-21(29-28-20)23-18(7-4-8-19(23)26)24(31)27-14-22(30)16-5-2-1-3-6-16/h1-13,22,30H,14H2,(H,27,31)(H,28,29)/t22-/m1/s1
InChIKeyJZXDTFAQXHFETM-JOCHJYFZSA-N
XLogP4.49
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 135138513
N-[(2R,3S)-3,4-dihydroxy-1-phenylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138062
N-[(2R,3R)-4-acetamido-3-hydroxy-1-(triazol-2-yl)butan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138099
N-[(2S,3S)-3,4-dihydroxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138104
N-[(2R,3R)-3,4-dihydroxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138633
3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
CID 112814117
N-[(2S,4S)-4,5-dihydroxy-1-pyridin-2-ylpentan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138722
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(4-hydroxy-1-pyridin-2-ylbutan-2-yl)benzamide
CID 135138691
4-fluoro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 103829637
N-[(2R,3R)-1,2-dihydroxy-4-pyridin-2-ylpentan-3-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138486
2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211
3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 111441740

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The IUPAC name of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide (CID 135138260) is 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide.
What is the SMILES notation for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The canonical SMILES for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide is O=C(NC[C@@H](O)c1ccccc1)c1cccc(F)c1-c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The InChIKey is JZXDTFAQXHFETM-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c25-17-11-9-15(10-12-17)20-13-21(29-28-20)23-18(7-4-8-19(23)26)24(31)27-14-22(30)16-5-2-1-3-6-16/h1-13,22,30H,14H2,(H,27,31)(H,28,29)/t22-/m1/s1.
What are the key properties of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide has a molecular weight of 419.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide is sourced from PubChem (CID 135138260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).