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

C20H19ClFN3O2 — CID 7432948

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)COc3ccc(F)c(Cl)c3)c2C)cc1
InChIInChI=1S/C20H19ClFN3O2/c1-12-4-6-15(7-5-12)25-14(3)20(13(2)24-25)23-19(26)11-27-16-8-9-18(22)17(21)10-16/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyZXQNEKAOMKXUDZ-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.61
Rot. Bonds5

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

2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide (PubChem CID 7432948) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
PubChem CID7432948
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)COc3ccc(F)c(Cl)c3)c2C)cc1
InChIInChI=1S/C20H19ClFN3O2/c1-12-4-6-15(7-5-12)25-14(3)20(13(2)24-25)23-19(26)11-27-16-8-9-18(22)17(21)10-16/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyZXQNEKAOMKXUDZ-UHFFFAOYSA-N
XLogP4.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide (CID 7432948) is 2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide is Cc1ccc(-n2nc(C)c(NC(=O)COc3ccc(F)c(Cl)c3)c2C)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide?
The InChIKey is ZXQNEKAOMKXUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-12-4-6-15(7-5-12)25-14(3)20(13(2)24-25)23-19(26)11-27-16-8-9-18(22)17(21)10-16/h4-10H,11H2,1-3H3,(H,23,26).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide has a molecular weight of 387.84 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 7432948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).