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

C23H20N2O2 — CID 84973182

IUPAC[3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1cccc(C2CC(c3ccccc3)=NN2C(=O)c2ccccc2)c1
InChIInChI=1S/C23H20N2O2/c1-27-20-14-8-13-19(15-20)22-16-21(17-9-4-2-5-10-17)24-25(22)23(26)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3
InChIKeyIJZQJJBRRXXMNC-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.69
Rot. Bonds4

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

[3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 84973182) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID84973182
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name[3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1cccc(C2CC(c3ccccc3)=NN2C(=O)c2ccccc2)c1
InChIInChI=1S/C23H20N2O2/c1-27-20-14-8-13-19(15-20)22-16-21(17-9-4-2-5-10-17)24-25(22)23(26)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3
InChIKeyIJZQJJBRRXXMNC-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-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 84973182) is [3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is COc1cccc(C2CC(c3ccccc3)=NN2C(=O)c2ccccc2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is IJZQJJBRRXXMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-27-20-14-8-13-19(15-20)22-16-21(17-9-4-2-5-10-17)24-25(22)23(26)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3.
What are the key properties of [3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[3-(3-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-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 84973182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).