5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile

C19H15N3O2 — CID 71377669

IUPAC5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(C(C)=O)c2C#N)cc1
InChIInChI=1S/C19H15N3O2/c1-13(23)19-17(12-20)18(14-8-10-16(24-2)11-9-14)21-22(19)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyUEONQGVGMRCIPO-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.62
Rot. Bonds4

About 5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile

5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile (PubChem CID 71377669) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile
PubChem CID71377669
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(C(C)=O)c2C#N)cc1
InChIInChI=1S/C19H15N3O2/c1-13(23)19-17(12-20)18(14-8-10-16(24-2)11-9-14)21-22(19)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyUEONQGVGMRCIPO-UHFFFAOYSA-N
XLogP3.62
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile (CID 71377669) is 5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile is COc1ccc(-c2nn(-c3ccccc3)c(C(C)=O)c2C#N)cc1.
What is the InChIKey of 5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile?
The InChIKey is UEONQGVGMRCIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-13(23)19-17(12-20)18(14-8-10-16(24-2)11-9-14)21-22(19)15-6-4-3-5-7-15/h3-11H,1-2H3.
What are the key properties of 5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile?
5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile has a molecular weight of 317.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 71377669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).