2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C19H19N3O2 — CID 31953145

IUPAC2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2Cn2cccn2)c(O)c1
InChIInChI=1S/C19H19N3O2/c1-14-7-8-17(18(23)11-14)19(24)20-12-15-5-2-3-6-16(15)13-22-10-4-9-21-22/h2-11,23H,12-13H2,1H3,(H,20,24)
InChIKeyAGCDHNDTABUCQG-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.88
Rot. Bonds5

About 2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 31953145) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID31953145
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2Cn2cccn2)c(O)c1
InChIInChI=1S/C19H19N3O2/c1-14-7-8-17(18(23)11-14)19(24)20-12-15-5-2-3-6-16(15)13-22-10-4-9-21-22/h2-11,23H,12-13H2,1H3,(H,20,24)
InChIKeyAGCDHNDTABUCQG-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 31953145) is 2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is Cc1ccc(C(=O)NCc2ccccc2Cn2cccn2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is AGCDHNDTABUCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-7-8-17(18(23)11-14)19(24)20-12-15-5-2-3-6-16(15)13-22-10-4-9-21-22/h2-11,23H,12-13H2,1H3,(H,20,24).
What are the key properties of 2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 31953145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).