1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone

C18H18N2O — CID 2925971

IUPAC1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone
SMILESCC1=NN(C(=O)Cc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H18N2O/c1-14-12-17(16-10-6-3-7-11-16)20(19-14)18(21)13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3
InChIKeyMAPQLJILVAHRKE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.58
Rot. Bonds3

About 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone

1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone (PubChem CID 2925971) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone
PubChem CID2925971
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone
SMILESCC1=NN(C(=O)Cc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H18N2O/c1-14-12-17(16-10-6-3-7-11-16)20(19-14)18(21)13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3
InChIKeyMAPQLJILVAHRKE-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone?
The IUPAC name of 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone (CID 2925971) is 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone is CC1=NN(C(=O)Cc2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone?
The InChIKey is MAPQLJILVAHRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-12-17(16-10-6-3-7-11-16)20(19-14)18(21)13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3.
What are the key properties of 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone?
1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone has a molecular weight of 278.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone is sourced from PubChem (CID 2925971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).