2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide

C25H21F2N3O2 — CID 135138614

IUPAC2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1ccccc1-c1cc(-c2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C25H21F2N3O2/c26-21-11-10-17(13-22(21)27)23-14-24(30-29-23)19-8-4-5-9-20(19)25(32)28-18(15-31)12-16-6-2-1-3-7-16/h1-11,13-14,18,31H,12,15H2,(H,28,32)(H,29,30)/t18-/m1/s1
InChIKeyMGUDOCRAPZGKJX-GOSISDBHSA-N
MW433.46 g/mol
LogP4.36
Rot. Bonds7

About 2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide

2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 135138614) has the molecular formula C25H21F2N3O2 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID135138614
Molecular FormulaC25H21F2N3O2
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1ccccc1-c1cc(-c2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C25H21F2N3O2/c26-21-11-10-17(13-22(21)27)23-14-24(30-29-23)19-8-4-5-9-20(19)25(32)28-18(15-31)12-16-6-2-1-3-7-16/h1-11,13-14,18,31H,12,15H2,(H,28,32)(H,29,30)/t18-/m1/s1
InChIKeyMGUDOCRAPZGKJX-GOSISDBHSA-N
XLogP4.36
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
CID 137293900
N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135133207
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
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)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 104696636
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide
CID 90910708
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91823512
3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide
CID 175135041

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 135138614) is 2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is O=C(N[C@@H](CO)Cc1ccccc1)c1ccccc1-c1cc(-c2ccc(F)c(F)c2)n[nH]1.
What is the InChIKey of 2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is MGUDOCRAPZGKJX-GOSISDBHSA-N. The full InChI is InChI=1S/C25H21F2N3O2/c26-21-11-10-17(13-22(21)27)23-14-24(30-29-23)19-8-4-5-9-20(19)25(32)28-18(15-31)12-16-6-2-1-3-7-16/h1-11,13-14,18,31H,12,15H2,(H,28,32)(H,29,30)/t18-/m1/s1.
What are the key properties of 2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 433.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 135138614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).