3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one

C22H18N2O — CID 11034751

IUPAC3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one
SMILESCc1ccc(-c2c(-c3ccccc3)c(=O)[nH]n2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O/c1-16-12-14-18(15-13-16)21-20(17-8-4-2-5-9-17)22(25)23-24(21)19-10-6-3-7-11-19/h2-15H,1H3,(H,23,25)
InChIKeyYQVBXDVFFSBJMJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.81
Rot. Bonds3

About 3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one

3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one (PubChem CID 11034751) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one
PubChem CID11034751
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one
SMILESCc1ccc(-c2c(-c3ccccc3)c(=O)[nH]n2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O/c1-16-12-14-18(15-13-16)21-20(17-8-4-2-5-9-17)22(25)23-24(21)19-10-6-3-7-11-19/h2-15H,1H3,(H,23,25)
InChIKeyYQVBXDVFFSBJMJ-UHFFFAOYSA-N
XLogP4.81
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one?
The IUPAC name of 3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one (CID 11034751) is 3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one?
The canonical SMILES for 3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one is Cc1ccc(-c2c(-c3ccccc3)c(=O)[nH]n2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one?
The InChIKey is YQVBXDVFFSBJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-16-12-14-18(15-13-16)21-20(17-8-4-2-5-9-17)22(25)23-24(21)19-10-6-3-7-11-19/h2-15H,1H3,(H,23,25).
What are the key properties of 3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one?
3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one has a molecular weight of 326.40 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one is sourced from PubChem (CID 11034751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).