1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone

C21H24N2O — CID 71052792

IUPAC1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1ccc(C2=NN(C(=O)Cc3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C21H24N2O/c1-14-5-7-18(8-6-14)20-9-10-23(22-20)21(24)13-19-16(3)11-15(2)12-17(19)4/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyBDJLTVQTCPXGFJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.10
Rot. Bonds3

About 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone

1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 71052792) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID71052792
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1ccc(C2=NN(C(=O)Cc3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C21H24N2O/c1-14-5-7-18(8-6-14)20-9-10-23(22-20)21(24)13-19-16(3)11-15(2)12-17(19)4/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyBDJLTVQTCPXGFJ-UHFFFAOYSA-N
XLogP4.10
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone (CID 71052792) is 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone is Cc1ccc(C2=NN(C(=O)Cc3c(C)cc(C)cc3C)CC2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is BDJLTVQTCPXGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-14-5-7-18(8-6-14)20-9-10-23(22-20)21(24)13-19-16(3)11-15(2)12-17(19)4/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone?
1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 320.44 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 71052792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).