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

C20H19ClFN3O2 — CID 146220790

IUPAC2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide
SMILESCc1c(F)cccc1CCc1c(CC(=O)NO)cnn1-c1ccccc1Cl
InChIInChI=1S/C20H19ClFN3O2/c1-13-14(5-4-7-17(13)22)9-10-18-15(11-20(26)24-27)12-23-25(18)19-8-3-2-6-16(19)21/h2-8,12,27H,9-11H2,1H3,(H,24,26)
InChIKeyUVFHTXZGOISNTQ-UHFFFAOYSA-N
MW387.84 g/mol
LogP3.81
Rot. Bonds6

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

2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide (PubChem CID 146220790) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide
PubChem CID146220790
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide
SMILESCc1c(F)cccc1CCc1c(CC(=O)NO)cnn1-c1ccccc1Cl
InChIInChI=1S/C20H19ClFN3O2/c1-13-14(5-4-7-17(13)22)9-10-18-15(11-20(26)24-27)12-23-25(18)19-8-3-2-6-16(19)21/h2-8,12,27H,9-11H2,1H3,(H,24,26)
InChIKeyUVFHTXZGOISNTQ-UHFFFAOYSA-N
XLogP3.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 53.81
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'}

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Related Compounds

2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide
CID 146220783
1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118560026
N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 60566225
N-(3-chloro-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 2671408
2-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
CID 83896284
2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide
CID 129027649
4-(chloromethyl)-5-ethyl-1-(2-fluorophenyl)pyrazole
CID 66438366
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
1-(2-chlorophenyl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 42818207
3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide
CID 129027656
N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66442277
4-(chloromethyl)-1-(2-chlorophenyl)-5-propan-2-ylpyrazole
CID 66436399

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide (CID 146220790) is 2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide is Cc1c(F)cccc1CCc1c(CC(=O)NO)cnn1-c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide?
The InChIKey is UVFHTXZGOISNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-13-14(5-4-7-17(13)22)9-10-18-15(11-20(26)24-27)12-23-25(18)19-8-3-2-6-16(19)21/h2-8,12,27H,9-11H2,1H3,(H,24,26).
What are the key properties of 2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide?
2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide has a molecular weight of 387.84 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 146220790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).