3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one

C19H20N2O — CID 175325758

IUPAC3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one
SMILESCc1ccc(C2=NNC(=O)C2c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C19H20N2O/c1-11-5-7-15(13(3)9-11)17-18(20-21-19(17)22)16-8-6-12(2)10-14(16)4/h5-10,17H,1-4H3,(H,21,22)
InChIKeyUECKUXYDEGLJTC-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.54
Rot. Bonds2

About 3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one

3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one (PubChem CID 175325758) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one
PubChem CID175325758
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one
SMILESCc1ccc(C2=NNC(=O)C2c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C19H20N2O/c1-11-5-7-15(13(3)9-11)17-18(20-21-19(17)22)16-8-6-12(2)10-14(16)4/h5-10,17H,1-4H3,(H,21,22)
InChIKeyUECKUXYDEGLJTC-UHFFFAOYSA-N
XLogP3.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one (CID 175325758) is 3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one is Cc1ccc(C2=NNC(=O)C2c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one?
The InChIKey is UECKUXYDEGLJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-11-5-7-15(13(3)9-11)17-18(20-21-19(17)22)16-8-6-12(2)10-14(16)4/h5-10,17H,1-4H3,(H,21,22).
What are the key properties of 3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one?
3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one has a molecular weight of 292.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 175325758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).