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

C25H24N2O4 — CID 3755793

IUPAC[5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1ccc(C2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-29-20-12-9-17(10-13-20)22-16-21(19-11-14-23(30-2)24(15-19)31-3)26-27(22)25(28)18-7-5-4-6-8-18/h4-15,22H,16H2,1-3H3
InChIKeySYZMDNSLXOPPRV-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.70
Rot. Bonds6

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

[5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 3755793) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID3755793
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1ccc(C2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-29-20-12-9-17(10-13-20)22-16-21(19-11-14-23(30-2)24(15-19)31-3)26-27(22)25(28)18-7-5-4-6-8-18/h4-15,22H,16H2,1-3H3
InChIKeySYZMDNSLXOPPRV-UHFFFAOYSA-N
XLogP4.70
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 3755793) is [5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone is COc1ccc(C2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)c2ccccc2)cc1.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is SYZMDNSLXOPPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-29-20-12-9-17(10-13-20)22-16-21(19-11-14-23(30-2)24(15-19)31-3)26-27(22)25(28)18-7-5-4-6-8-18/h4-15,22H,16H2,1-3H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 416.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 3755793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).