2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide

C24H20ClFN4O — CID 18674041

IUPAC2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(Cl)C(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)cc1
InChIInChI=1S/C24H20ClFN4O/c1-15-3-5-17(6-4-15)21(25)24(31)28-23-20(16-11-13-27-14-12-16)22(29-30(23)2)18-7-9-19(26)10-8-18/h3-14,21H,1-2H3,(H,28,31)
InChIKeyYTDQJXJFXOMDQB-UHFFFAOYSA-N
MW434.90 g/mol
LogP5.52
Rot. Bonds5

About 2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide

2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide (PubChem CID 18674041) has the molecular formula C24H20ClFN4O and a molecular weight of 434.90 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide
PubChem CID18674041
Molecular FormulaC24H20ClFN4O
Molecular Weight434.90 g/mol
Exact Mass434.13
IUPAC Name2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(Cl)C(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)cc1
InChIInChI=1S/C24H20ClFN4O/c1-15-3-5-17(6-4-15)21(25)24(31)28-23-20(16-11-13-27-14-12-16)22(29-30(23)2)18-7-9-19(26)10-8-18/h3-14,21H,1-2H3,(H,28,31)
InChIKeyYTDQJXJFXOMDQB-UHFFFAOYSA-N
XLogP5.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.90
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-4-ylacetamide
CID 18674111
2-amino-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674150
2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
CID 70000100
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide
CID 18674103
2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674096
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 18674002
2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 57467727
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 18674145
N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674047
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide
CID 18674147
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674032

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide (CID 18674041) is 2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(Cl)C(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is YTDQJXJFXOMDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O/c1-15-3-5-17(6-4-15)21(25)24(31)28-23-20(16-11-13-27-14-12-16)22(29-30(23)2)18-7-9-19(26)10-8-18/h3-14,21H,1-2H3,(H,28,31).
What are the key properties of 2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide?
2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 434.90 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 18674041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).