[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

C23H20N2O2 — CID 2953068

IUPAC[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1ccccc1C1CC(c2ccccc2)=NN1C(=O)c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-27-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)24-25(21)23(26)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
InChIKeyXAUPVHSAPIALPD-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.69
Rot. Bonds4

About [3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 2953068) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID2953068
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1ccccc1C1CC(c2ccccc2)=NN1C(=O)c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-27-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)24-25(21)23(26)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
InChIKeyXAUPVHSAPIALPD-UHFFFAOYSA-N
XLogP4.69
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 2953068) is [3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is COc1ccccc1C1CC(c2ccccc2)=NN1C(=O)c1ccccc1.
What is the InChIKey of [3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is XAUPVHSAPIALPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-27-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)24-25(21)23(26)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3.
What are the key properties of [3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 356.43 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 2953068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).