N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide

C20H20FN3O — CID 38199854

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)Cc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C20H20FN3O/c1-13-4-10-18(11-5-13)24-15(3)20(14(2)23-24)22-19(25)12-16-6-8-17(21)9-7-16/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeySKGMXHITOCIKGT-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.12
Rot. Bonds4

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 38199854) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
PubChem CID38199854
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)Cc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C20H20FN3O/c1-13-4-10-18(11-5-13)24-15(3)20(14(2)23-24)22-19(25)12-16-6-8-17(21)9-7-16/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeySKGMXHITOCIKGT-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide (CID 38199854) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide is Cc1ccc(-n2nc(C)c(NC(=O)Cc3ccc(F)cc3)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SKGMXHITOCIKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-13-4-10-18(11-5-13)24-15(3)20(14(2)23-24)22-19(25)12-16-6-8-17(21)9-7-16/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 38199854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).