2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide

C18H16FN3O2 — CID 28642184

IUPAC2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide
SMILESCOc1ccc(-c2cccc(-c3ccn(CC(N)=O)n3)c2)cc1F
InChIInChI=1S/C18H16FN3O2/c1-24-17-6-5-13(10-15(17)19)12-3-2-4-14(9-12)16-7-8-22(21-16)11-18(20)23/h2-10H,11H2,1H3,(H2,20,23)
InChIKeyAYFQWTNVJUQWCU-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.85
Rot. Bonds5

About 2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide

2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide (PubChem CID 28642184) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide
PubChem CID28642184
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide
SMILESCOc1ccc(-c2cccc(-c3ccn(CC(N)=O)n3)c2)cc1F
InChIInChI=1S/C18H16FN3O2/c1-24-17-6-5-13(10-15(17)19)12-3-2-4-14(9-12)16-7-8-22(21-16)11-18(20)23/h2-10H,11H2,1H3,(H2,20,23)
InChIKeyAYFQWTNVJUQWCU-UHFFFAOYSA-N
XLogP2.85
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide (CID 28642184) is 2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide is COc1ccc(-c2cccc(-c3ccn(CC(N)=O)n3)c2)cc1F.
What is the InChIKey of 2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide?
The InChIKey is AYFQWTNVJUQWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-17-6-5-13(10-15(17)19)12-3-2-4-14(9-12)16-7-8-22(21-16)11-18(20)23/h2-10H,11H2,1H3,(H2,20,23).
What are the key properties of 2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide?
2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 28642184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).