2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one

C18H11Cl2N3O2 — CID 135494687

IUPAC2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one
SMILESO=c1[nH]n(-c2cc(Cl)cc(Cl)c2)c(O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C18H11Cl2N3O2/c19-11-6-12(20)8-13(7-11)23-18(25)15(17(24)22-23)5-10-9-21-16-4-2-1-3-14(10)16/h1-9,25H,(H,22,24)/b10-5+
InChIKeyANSVEATUFHGCMD-BJMVGYQFSA-N
MW372.21 g/mol
LogP4.43
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one

2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one (PubChem CID 135494687) has the molecular formula C18H11Cl2N3O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one
PubChem CID135494687
Molecular FormulaC18H11Cl2N3O2
Molecular Weight372.21 g/mol
Exact Mass371.02
IUPAC Name2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one
SMILESO=c1[nH]n(-c2cc(Cl)cc(Cl)c2)c(O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C18H11Cl2N3O2/c19-11-6-12(20)8-13(7-11)23-18(25)15(17(24)22-23)5-10-9-21-16-4-2-1-3-14(10)16/h1-9,25H,(H,22,24)/b10-5+
InChIKeyANSVEATUFHGCMD-BJMVGYQFSA-N
XLogP4.43
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one?
The IUPAC name of 2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one (CID 135494687) is 2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one is O=c1[nH]n(-c2cc(Cl)cc(Cl)c2)c(O)c1/C=C1\C=Nc2ccccc21.
What is the InChIKey of 2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one?
The InChIKey is ANSVEATUFHGCMD-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H11Cl2N3O2/c19-11-6-12(20)8-13(7-11)23-18(25)15(17(24)22-23)5-10-9-21-16-4-2-1-3-14(10)16/h1-9,25H,(H,22,24)/b10-5+.
What are the key properties of 2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one?
2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one has a molecular weight of 372.21 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one is sourced from PubChem (CID 135494687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).