N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide

C19H19N3O2 — CID 111423679

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
SMILESCc1ccccc1C(O)CNC(=O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H19N3O2/c1-14-6-2-3-9-17(14)18(23)13-20-19(24)15-7-4-8-16(12-15)22-11-5-10-21-22/h2-12,18,23H,13H2,1H3,(H,20,24)
InChIKeyAPOLSVHAHWMSFS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.64
Rot. Bonds5

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide (PubChem CID 111423679) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
PubChem CID111423679
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
SMILESCc1ccccc1C(O)CNC(=O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H19N3O2/c1-14-6-2-3-9-17(14)18(23)13-20-19(24)15-7-4-8-16(12-15)22-11-5-10-21-22/h2-12,18,23H,13H2,1H3,(H,20,24)
InChIKeyAPOLSVHAHWMSFS-UHFFFAOYSA-N
XLogP2.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111119910
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide
CID 109478348
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide
CID 111697672
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 96530833
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477571
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-3-pyrazol-1-ylbenzamide
CID 56743823
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565456
N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 111120128

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide (CID 111423679) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide is Cc1ccccc1C(O)CNC(=O)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is APOLSVHAHWMSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-6-2-3-9-17(14)18(23)13-20-19(24)15-7-4-8-16(12-15)22-11-5-10-21-22/h2-12,18,23H,13H2,1H3,(H,20,24).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 111423679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).