1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone

C18H16N2O2 — CID 102031809

IUPAC1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone
SMILESCOc1cccc(-c2cccc(C(C)=O)c2)c1-n1cccn1
InChIInChI=1S/C18H16N2O2/c1-13(21)14-6-3-7-15(12-14)16-8-4-9-17(22-2)18(16)20-11-5-10-19-20/h3-12H,1-2H3
InChIKeyCELBUSCUAXAXAX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.75
Rot. Bonds4

About 1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone

1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone (PubChem CID 102031809) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone
PubChem CID102031809
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone
SMILESCOc1cccc(-c2cccc(C(C)=O)c2)c1-n1cccn1
InChIInChI=1S/C18H16N2O2/c1-13(21)14-6-3-7-15(12-14)16-8-4-9-17(22-2)18(16)20-11-5-10-19-20/h3-12H,1-2H3
InChIKeyCELBUSCUAXAXAX-UHFFFAOYSA-N
XLogP3.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
CID 61033105
3-(2-methoxyphenyl)benzoic acid
CID 2759547
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650
1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225
N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206083
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
methyl (E)-3-[3-(2-methoxyphenyl)phenyl]but-2-enoate
CID 82543553
2-(2-methoxyphenyl)-5-(3-phenyl-5-pyrazol-1-yl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 141176412
2-(3-acetylphenyl)benzoic acid
CID 2756265
1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone
CID 54911823

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone?
The IUPAC name of 1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone (CID 102031809) is 1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone is COc1cccc(-c2cccc(C(C)=O)c2)c1-n1cccn1.
What is the InChIKey of 1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone?
The InChIKey is CELBUSCUAXAXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13(21)14-6-3-7-15(12-14)16-8-4-9-17(22-2)18(16)20-11-5-10-19-20/h3-12H,1-2H3.
What are the key properties of 1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone?
1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone has a molecular weight of 292.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone is sourced from PubChem (CID 102031809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).