1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone

C20H22N2O4 — CID 2147031

IUPAC1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone
SMILESCOc1cccc(C2=C[C@H](c3ccc(OC)c(OC)c3)N(C(C)=O)N2)c1
InChIInChI=1S/C20H22N2O4/c1-13(23)22-18(15-8-9-19(25-3)20(11-15)26-4)12-17(21-22)14-6-5-7-16(10-14)24-2/h5-12,18,21H,1-4H3/t18-/m1/s1
InChIKeyJVGVNYMHNSALJY-GOSISDBHSA-N
MW354.41 g/mol
LogP3.16
Rot. Bonds5

About 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone

1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone (PubChem CID 2147031) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone
PubChem CID2147031
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone
SMILESCOc1cccc(C2=C[C@H](c3ccc(OC)c(OC)c3)N(C(C)=O)N2)c1
InChIInChI=1S/C20H22N2O4/c1-13(23)22-18(15-8-9-19(25-3)20(11-15)26-4)12-17(21-22)14-6-5-7-16(10-14)24-2/h5-12,18,21H,1-4H3/t18-/m1/s1
InChIKeyJVGVNYMHNSALJY-GOSISDBHSA-N
XLogP3.16
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 7172784
(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
CID 139798871
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2662609
1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225
[4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7997515
[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2642390
(3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone
CID 2141954
[2-[(3R)-2-benzoyl-3-(4-bromophenyl)-1,3-dihydropyrazol-5-yl]-5-methoxyphenyl] acetate
CID 2209118
(7S)-7-(4-bromophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136852403
5-(3-methoxyphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 661596
5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3761227

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone (CID 2147031) is 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone is COc1cccc(C2=C[C@H](c3ccc(OC)c(OC)c3)N(C(C)=O)N2)c1.
What is the InChIKey of 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone?
The InChIKey is JVGVNYMHNSALJY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(23)22-18(15-8-9-19(25-3)20(11-15)26-4)12-17(21-22)14-6-5-7-16(10-14)24-2/h5-12,18,21H,1-4H3/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone?
1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone has a molecular weight of 354.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 2147031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).