N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide

C19H19N3O2 — CID 111119910

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide
SMILESCc1ccccc1C(O)CNC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-5-2-3-6-17(14)18(23)13-20-19(24)15-7-9-16(10-8-15)22-12-4-11-21-22/h2-12,18,23H,13H2,1H3,(H,20,24)
InChIKeyYNPNRLVEQQEGHO-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.64
Rot. Bonds5

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide (PubChem CID 111119910) 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]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide
PubChem CID111119910
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide
SMILESCc1ccccc1C(O)CNC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-5-2-3-6-17(14)18(23)13-20-19(24)15-7-9-16(10-8-15)22-12-4-11-21-22/h2-12,18,23H,13H2,1H3,(H,20,24)
InChIKeyYNPNRLVEQQEGHO-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]-3-pyrazol-1-ylbenzamide
CID 111423679
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 110889458
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111115502
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 111120128
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 111112821
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477571
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide (CID 111119910) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide is Cc1ccccc1C(O)CNC(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is YNPNRLVEQQEGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-5-2-3-6-17(14)18(23)13-20-19(24)15-7-9-16(10-8-15)22-12-4-11-21-22/h2-12,18,23H,13H2,1H3,(H,20,24).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-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]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 111119910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).