N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide

C24H20FN3O3 — CID 135910238

IUPACN-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(-c2ccnn2-c2ccccc2F)c(O)cc1O
InChIInChI=1S/C24H20FN3O3/c1-27(15-16-7-3-2-4-8-16)24(31)18-13-17(22(29)14-23(18)30)20-11-12-26-28(20)21-10-6-5-9-19(21)25/h2-14,29-30H,15H2,1H3
InChIKeyXIILURSJUGEJSA-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.36
Rot. Bonds5

About N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide

N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide (PubChem CID 135910238) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
PubChem CID135910238
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC NameN-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(-c2ccnn2-c2ccccc2F)c(O)cc1O
InChIInChI=1S/C24H20FN3O3/c1-27(15-16-7-3-2-4-8-16)24(31)18-13-17(22(29)14-23(18)30)20-11-12-26-28(20)21-10-6-5-9-19(21)25/h2-14,29-30H,15H2,1H3
InChIKeyXIILURSJUGEJSA-UHFFFAOYSA-N
XLogP4.36
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
The IUPAC name of N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide (CID 135910238) is N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1cc(-c2ccnn2-c2ccccc2F)c(O)cc1O.
What is the InChIKey of N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
The InChIKey is XIILURSJUGEJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-27(15-16-7-3-2-4-8-16)24(31)18-13-17(22(29)14-23(18)30)20-11-12-26-28(20)21-10-6-5-9-19(21)25/h2-14,29-30H,15H2,1H3.
What are the key properties of N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide has a molecular weight of 417.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 135910238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).