2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one

C19H14ClN3O2 — CID 4159377

IUPAC2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one
SMILESCC1=Nc2ccccc2C1=Cc1c(O)n(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C19H14ClN3O2/c1-11-15(14-4-2-3-5-17(14)21-11)10-16-18(24)22-23(19(16)25)13-8-6-12(20)7-9-13/h2-10,25H,1H3,(H,22,24)
InChIKeyAZOKDHQKOYFVKJ-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.17
Rot. Bonds2

About 2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one

2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one (PubChem CID 4159377) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one
PubChem CID4159377
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one
SMILESCC1=Nc2ccccc2C1=Cc1c(O)n(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C19H14ClN3O2/c1-11-15(14-4-2-3-5-17(14)21-11)10-16-18(24)22-23(19(16)25)13-8-6-12(20)7-9-13/h2-10,25H,1H3,(H,22,24)
InChIKeyAZOKDHQKOYFVKJ-UHFFFAOYSA-N
XLogP4.17
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 1318597
3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one
CID 135927408
4-[[2-(3-chloro-4-fluorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 135486358
1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 1142765
1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135467576
methyl (3E)-3-[[1-(4-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indole-2-carboxylate
CID 135571955
6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1-(2,4,6-trimethylphenyl)pyrimidine-2,4-dione
CID 135420645
1-(4-chlorophenyl)-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 135822120
2-(3,4-dimethylphenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one
CID 135432683
4-[[3-(4-chlorophenyl)pyrazol-4-ylidene]methyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one
CID 136718298
2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one
CID 1334022
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 1311695

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one?
The IUPAC name of 2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one (CID 4159377) is 2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one is CC1=Nc2ccccc2C1=Cc1c(O)n(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one?
The InChIKey is AZOKDHQKOYFVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c1-11-15(14-4-2-3-5-17(14)21-11)10-16-18(24)22-23(19(16)25)13-8-6-12(20)7-9-13/h2-10,25H,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one?
2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one has a molecular weight of 351.79 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one is sourced from PubChem (CID 4159377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).