2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide

C21H22FN3O2 — CID 146220783

IUPAC2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide
SMILESCc1ccc(-n2ncc(CC(=O)NO)c2CCc2cccc(F)c2C)cc1
InChIInChI=1S/C21H22FN3O2/c1-14-6-9-18(10-7-14)25-20(17(13-23-25)12-21(26)24-27)11-8-16-4-3-5-19(22)15(16)2/h3-7,9-10,13,27H,8,11-12H2,1-2H3,(H,24,26)
InChIKeyGKZCIKBTQHCIDN-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.46
Rot. Bonds6

About 2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide

2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide (PubChem CID 146220783) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide
PubChem CID146220783
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide
SMILESCc1ccc(-n2ncc(CC(=O)NO)c2CCc2cccc(F)c2C)cc1
InChIInChI=1S/C21H22FN3O2/c1-14-6-9-18(10-7-14)25-20(17(13-23-25)12-21(26)24-27)11-8-16-4-3-5-19(22)15(16)2/h3-7,9-10,13,27H,8,11-12H2,1-2H3,(H,24,26)
InChIKeyGKZCIKBTQHCIDN-UHFFFAOYSA-N
XLogP3.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide
CID 146220790
(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559976
2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 115040037
N-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-1-amine
CID 66439641
1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene
CID 155712803
N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 54982022
2-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 82527752
3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide
CID 129027656
2-[5-bromo-1-(4-methylphenyl)pyrazol-4-yl]-N-methylethanamine
CID 115053251
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 37273958
N-[(2-fluorophenyl)methyl]-2-[(4-methylphenyl)methylamino]acetamide
CID 108997023
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide (CID 146220783) is 2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide is Cc1ccc(-n2ncc(CC(=O)NO)c2CCc2cccc(F)c2C)cc1.
What is the InChIKey of 2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide?
The InChIKey is GKZCIKBTQHCIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14-6-9-18(10-7-14)25-20(17(13-23-25)12-21(26)24-27)11-8-16-4-3-5-19(22)15(16)2/h3-7,9-10,13,27H,8,11-12H2,1-2H3,(H,24,26).
What are the key properties of 2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide?
2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide has a molecular weight of 367.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 146220783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).