1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone

C15H16N2O3 — CID 13077733

IUPAC1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone
SMILESCOc1ccc(-n2nc(C(C)=O)c(C(C)=O)c2C)cc1
InChIInChI=1S/C15H16N2O3/c1-9-14(10(2)18)15(11(3)19)16-17(9)12-5-7-13(20-4)8-6-12/h5-8H,1-4H3
InChIKeyRZPWKUCGCPWWSH-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.59
Rot. Bonds4

About 1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone

1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone (PubChem CID 13077733) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone
PubChem CID13077733
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone
SMILESCOc1ccc(-n2nc(C(C)=O)c(C(C)=O)c2C)cc1
InChIInChI=1S/C15H16N2O3/c1-9-14(10(2)18)15(11(3)19)16-17(9)12-5-7-13(20-4)8-6-12/h5-8H,1-4H3
InChIKeyRZPWKUCGCPWWSH-UHFFFAOYSA-N
XLogP2.59
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone (CID 13077733) is 1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone is COc1ccc(-n2nc(C(C)=O)c(C(C)=O)c2C)cc1.
What is the InChIKey of 1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone?
The InChIKey is RZPWKUCGCPWWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-14(10(2)18)15(11(3)19)16-17(9)12-5-7-13(20-4)8-6-12/h5-8H,1-4H3.
What are the key properties of 1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone?
1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone has a molecular weight of 272.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-acetyl-1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanone is sourced from PubChem (CID 13077733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).