2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one

C19H14ClN3O — CID 21215054

IUPAC2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1/C=C1/C=Nc2ccccc21
InChIInChI=1S/C19H14ClN3O/c1-12-17(10-13-11-21-18-5-3-2-4-16(13)18)19(24)23(22-12)15-8-6-14(20)7-9-15/h2-11,22H,1H3/b13-10-
InChIKeyQDTLOWIIGMJRQG-RAXLEYEMSA-N
MW335.79 g/mol
LogP4.38
Rot. Bonds2

About 2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one

2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one (PubChem CID 21215054) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one
PubChem CID21215054
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1/C=C1/C=Nc2ccccc21
InChIInChI=1S/C19H14ClN3O/c1-12-17(10-13-11-21-18-5-3-2-4-16(13)18)19(24)23(22-12)15-8-6-14(20)7-9-15/h2-11,22H,1H3/b13-10-
InChIKeyQDTLOWIIGMJRQG-RAXLEYEMSA-N
XLogP4.38
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one (CID 21215054) is 2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1/C=C1/C=Nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is QDTLOWIIGMJRQG-RAXLEYEMSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-12-17(10-13-11-21-18-5-3-2-4-16(13)18)19(24)23(22-12)15-8-6-14(20)7-9-15/h2-11,22H,1H3/b13-10-.
What are the key properties of 2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one?
2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 335.79 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(E)-indol-3-ylidenemethyl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 21215054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).