2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone

C20H20N2O2 — CID 45485635

IUPAC2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone
SMILESCOc1ccc(Cn2nc(C)cc2CC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O2/c1-15-12-18(13-20(23)17-6-4-3-5-7-17)22(21-15)14-16-8-10-19(24-2)11-9-16/h3-12H,13-14H2,1-2H3
InChIKeyYHIFOZYVTQYFMW-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.67
Rot. Bonds6

About 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone

2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone (PubChem CID 45485635) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone
PubChem CID45485635
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone
SMILESCOc1ccc(Cn2nc(C)cc2CC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O2/c1-15-12-18(13-20(23)17-6-4-3-5-7-17)22(21-15)14-16-8-10-19(24-2)11-9-16/h3-12H,13-14H2,1-2H3
InChIKeyYHIFOZYVTQYFMW-UHFFFAOYSA-N
XLogP3.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone (CID 45485635) is 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone is COc1ccc(Cn2nc(C)cc2CC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone?
The InChIKey is YHIFOZYVTQYFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15-12-18(13-20(23)17-6-4-3-5-7-17)22(21-15)14-16-8-10-19(24-2)11-9-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone?
2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone has a molecular weight of 320.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanone is sourced from PubChem (CID 45485635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).