1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C18H18N2O — CID 71458352

IUPAC1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1CC(Cc2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C18H18N2O/c1-14(21)20-13-17(12-15-8-4-2-5-9-15)18(19-20)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
InChIKeySEHXMGVQUDTTFH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.11
Rot. Bonds3

About 1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 71458352) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID71458352
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1CC(Cc2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C18H18N2O/c1-14(21)20-13-17(12-15-8-4-2-5-9-15)18(19-20)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
InChIKeySEHXMGVQUDTTFH-UHFFFAOYSA-N
XLogP3.11
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 71458352) is 1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is CC(=O)N1CC(Cc2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of 1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is SEHXMGVQUDTTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14(21)20-13-17(12-15-8-4-2-5-9-15)18(19-20)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3.
What are the key properties of 1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 278.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 71458352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).