N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide

C27H27N3O2 — CID 135133207

IUPACN-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
SMILESCC(C)(O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C27H27N3O2/c1-27(2,32)25(17-19-11-5-3-6-12-19)28-26(31)22-16-10-9-15-21(22)24-18-23(29-30-24)20-13-7-4-8-14-20/h3-16,18,25,32H,17H2,1-2H3,(H,28,31)(H,29,30)/t25-/m1/s1
InChIKeyPZZBGXSETNUKCY-RUZDIDTESA-N
MW425.53 g/mol
LogP4.86
Rot. Bonds7

About N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide

N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide (PubChem CID 135133207) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
PubChem CID135133207
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
SMILESCC(C)(O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C27H27N3O2/c1-27(2,32)25(17-19-11-5-3-6-12-19)28-26(31)22-16-10-9-15-21(22)24-18-23(29-30-24)20-13-7-4-8-14-20/h3-16,18,25,32H,17H2,1-2H3,(H,28,31)(H,29,30)/t25-/m1/s1
InChIKeyPZZBGXSETNUKCY-RUZDIDTESA-N
XLogP4.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 135138614
N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135138235
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide
CID 134608074
N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135132671
N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135138265
N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752
2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
CID 137293900
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
N-methyl-2-[3-[3-[5-[2-[1-(methylamino)ethenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]benzamide
CID 145326488
N-[(2R,3S)-3,4-dihydroxy-1-phenylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138062
4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 92819649
ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate
CID 18690973

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide (CID 135133207) is N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide is CC(C)(O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1-c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is PZZBGXSETNUKCY-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27N3O2/c1-27(2,32)25(17-19-11-5-3-6-12-19)28-26(31)22-16-10-9-15-21(22)24-18-23(29-30-24)20-13-7-4-8-14-20/h3-16,18,25,32H,17H2,1-2H3,(H,28,31)(H,29,30)/t25-/m1/s1.
What are the key properties of N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide?
N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 425.53 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 135133207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).