[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone

C18H18N2O2 — CID 2990880

IUPAC[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-3-5-15(6-4-13)18(21)20-12-11-17(19-20)14-7-9-16(22-2)10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyVBPKJHVGMWLKMH-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.25
Rot. Bonds3

About [5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone

[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone (PubChem CID 2990880) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
PubChem CID2990880
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-3-5-15(6-4-13)18(21)20-12-11-17(19-20)14-7-9-16(22-2)10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyVBPKJHVGMWLKMH-UHFFFAOYSA-N
XLogP3.25
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone (CID 2990880) is [5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone is COc1ccc(C2=NN(C(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
The InChIKey is VBPKJHVGMWLKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-3-5-15(6-4-13)18(21)20-12-11-17(19-20)14-7-9-16(22-2)10-8-14/h3-10H,11-12H2,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 2990880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).