1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone

C35H28N6O5 — CID 71551958

IUPAC1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone
SMILESCOc1ccc(-n2nc(C(=O)c3cn(-c4ccccc4)nc3C(C)=O)c(C(=O)c3cn(-c4ccccc4)nc3C(C)=O)c2C)cc1
InChIInChI=1S/C35H28N6O5/c1-21-30(34(44)28-19-39(36-31(28)22(2)42)24-11-7-5-8-12-24)33(38-41(21)26-15-17-27(46-4)18-16-26)35(45)29-20-40(37-32(29)23(3)43)25-13-9-6-10-14-25/h5-20H,1-4H3
InChIKeyZILRYSGJVSRVBV-UHFFFAOYSA-N
MW612.65 g/mol
LogP5.43
Rot. Bonds10

About 1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone

1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone (PubChem CID 71551958) has the molecular formula C35H28N6O5 and a molecular weight of 612.65 g/mol. Its IUPAC name is 1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone
PubChem CID71551958
Molecular FormulaC35H28N6O5
Molecular Weight612.65 g/mol
Exact Mass612.21
IUPAC Name1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone
SMILESCOc1ccc(-n2nc(C(=O)c3cn(-c4ccccc4)nc3C(C)=O)c(C(=O)c3cn(-c4ccccc4)nc3C(C)=O)c2C)cc1
InChIInChI=1S/C35H28N6O5/c1-21-30(34(44)28-19-39(36-31(28)22(2)42)24-11-7-5-8-12-24)33(38-41(21)26-15-17-27(46-4)18-16-26)35(45)29-20-40(37-32(29)23(3)43)25-13-9-6-10-14-25/h5-20H,1-4H3
InChIKeyZILRYSGJVSRVBV-UHFFFAOYSA-N
XLogP5.43
TPSA130.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500612.65
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
CID 6409092
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
N-(4-ethoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 7947603
1'-[1-(4-Methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 44526767
N-(4-methoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 1217619
3-{[3-acetyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]carbonyl}-2H-chromen-2-one
CID 1214581
3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1289003
(Z)-3-(4-methoxyanilino)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 127048212
(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(4-methoxyanilino)prop-2-en-1-one
CID 127050794
(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-methoxyanilino)prop-2-en-1-one
CID 127051688
3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1355703
[1-(4-Methoxyphenyl)-3-phenylpyrazol-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 162645339

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone?
The IUPAC name of 1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone (CID 71551958) is 1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone?
The canonical SMILES for 1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone is COc1ccc(-n2nc(C(=O)c3cn(-c4ccccc4)nc3C(C)=O)c(C(=O)c3cn(-c4ccccc4)nc3C(C)=O)c2C)cc1.
What is the InChIKey of 1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone?
The InChIKey is ZILRYSGJVSRVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N6O5/c1-21-30(34(44)28-19-39(36-31(28)22(2)42)24-11-7-5-8-12-24)33(38-41(21)26-15-17-27(46-4)18-16-26)35(45)29-20-40(37-32(29)23(3)43)25-13-9-6-10-14-25/h5-20H,1-4H3.
What are the key properties of 1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone?
1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone has a molecular weight of 612.65 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-acetyl-1-phenylpyrazole-4-carbonyl)-1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl]-1-phenylpyrazol-3-yl]ethanone is sourced from PubChem (CID 71551958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).