1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

C23H23N3O3 — CID 127039630

IUPAC1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C2CC(c3ccc(-n4cccc4)cc3)=NN2C(C)=O)c(OC)c1
InChIInChI=1S/C23H23N3O3/c1-16(27)26-22(20-11-10-19(28-2)14-23(20)29-3)15-21(24-26)17-6-8-18(9-7-17)25-12-4-5-13-25/h4-14,22H,15H2,1-3H3
InChIKeyGFFJAXHRKZFPGM-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.19
Rot. Bonds5

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

1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 127039630) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID127039630
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C2CC(c3ccc(-n4cccc4)cc3)=NN2C(C)=O)c(OC)c1
InChIInChI=1S/C23H23N3O3/c1-16(27)26-22(20-11-10-19(28-2)14-23(20)29-3)15-21(24-26)17-6-8-18(9-7-17)25-12-4-5-13-25/h4-14,22H,15H2,1-3H3
InChIKeyGFFJAXHRKZFPGM-UHFFFAOYSA-N
XLogP4.19
TPSA56.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 71946007
1-[3-(2-hydroxy-3-methoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 3162036
5-[(3R)-3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 98723106
1-[3-(2-bromo-4,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 71922742
1-[(3R)-5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 7126124
2-(4-acetylpiperazin-1-yl)-1-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 46030961
1-[(3S)-5-(4-methoxyphenyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97072186
1-[5-(3,5-dimethoxyphenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820212
5-[(3R)-2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
CID 136830612
1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 7172784
2-(4-acetylpiperazin-1-yl)-1-[(3R)-3,5-bis(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93228193
2-(4-benzylpiperazin-1-yl)-1-[3-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 42844881

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 127039630) is 1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone is COc1ccc(C2CC(c3ccc(-n4cccc4)cc3)=NN2C(C)=O)c(OC)c1.
What is the InChIKey of 1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is GFFJAXHRKZFPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16(27)26-22(20-11-10-19(28-2)14-23(20)29-3)15-21(24-26)17-6-8-18(9-7-17)25-12-4-5-13-25/h4-14,22H,15H2,1-3H3.
What are the key properties of 1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 389.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethoxyphenyl)-5-(4-pyrrol-1-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 127039630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).