3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

C23H22N2O2 — CID 3112967

IUPAC3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C23H22N2O2/c1-26-20-12-8-17(9-13-20)22-16-23(18-10-14-21(27-2)15-11-18)25(24-22)19-6-4-3-5-7-19/h3-15,23H,16H2,1-2H3
InChIKeyGMHBQKAVVHKCSS-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.06
Rot. Bonds5

About 3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 3112967) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID3112967
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C23H22N2O2/c1-26-20-12-8-17(9-13-20)22-16-23(18-10-14-21(27-2)15-11-18)25(24-22)19-6-4-3-5-7-19/h3-15,23H,16H2,1-2H3
InChIKeyGMHBQKAVVHKCSS-UHFFFAOYSA-N
XLogP5.06
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (CID 3112967) is 3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccccc3)C(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is GMHBQKAVVHKCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-26-20-12-8-17(9-13-20)22-16-23(18-10-14-21(27-2)15-11-18)25(24-22)19-6-4-3-5-7-19/h3-15,23H,16H2,1-2H3.
What are the key properties of 3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 358.44 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 3112967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).