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

C21H24N2O5 — CID 102563944

IUPAC1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccccc1C1=NN(C(C)=O)C(c2ccc(OC)c(OC)c2OC)C1
InChIInChI=1S/C21H24N2O5/c1-13(24)23-17(12-16(22-23)14-8-6-7-9-18(14)25-2)15-10-11-19(26-3)21(28-5)20(15)27-4/h6-11,17H,12H2,1-5H3
InChIKeyLESXQLRLEALMCD-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.42
Rot. Bonds6

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

1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 102563944) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID102563944
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccccc1C1=NN(C(C)=O)C(c2ccc(OC)c(OC)c2OC)C1
InChIInChI=1S/C21H24N2O5/c1-13(24)23-17(12-16(22-23)14-8-6-7-9-18(14)25-2)15-10-11-19(26-3)21(28-5)20(15)27-4/h6-11,17H,12H2,1-5H3
InChIKeyLESXQLRLEALMCD-UHFFFAOYSA-N
XLogP3.42
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 7099519
1-[5-naphthalen-1-yl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 53317054
1-[(3S)-5-(2-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97092953
1-[(3R)-5-(2-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97092954
5-[3-(2,4-dimethoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 86819941
5-[(3R)-3-(2,4-dimethoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 99797590
[2-[2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] benzoate
CID 3429942
N-[3-[2-acetyl-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 3157399
1-[(3S)-3-(2-methoxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 52518904
1-[3-(2-hydroxy-3-methoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 3162036
[2-[(3S)-2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] benzoate
CID 7530281
1-[3-(2,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 71946007

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 102563944) is 1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is COc1ccccc1C1=NN(C(C)=O)C(c2ccc(OC)c(OC)c2OC)C1.
What is the InChIKey of 1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is LESXQLRLEALMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-13(24)23-17(12-16(22-23)14-8-6-7-9-18(14)25-2)15-10-11-19(26-3)21(28-5)20(15)27-4/h6-11,17H,12H2,1-5H3.
What are the key properties of 1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 384.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 102563944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).