1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione

C19H16ClN3O2 — CID 143553940

IUPAC1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione
SMILESCc1cc(Cl)ccc1-c1cccc2c(N3C(=O)CCC3=O)n(C)nc12
InChIInChI=1S/C19H16ClN3O2/c1-11-10-12(20)6-7-13(11)14-4-3-5-15-18(14)21-22(2)19(15)23-16(24)8-9-17(23)25/h3-7,10H,8-9H2,1-2H3
InChIKeyMUZAKXNHXLLLKW-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.86
Rot. Bonds2

About 1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione

1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione (PubChem CID 143553940) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione
PubChem CID143553940
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione
SMILESCc1cc(Cl)ccc1-c1cccc2c(N3C(=O)CCC3=O)n(C)nc12
InChIInChI=1S/C19H16ClN3O2/c1-11-10-12(20)6-7-13(11)14-4-3-5-15-18(14)21-22(2)19(15)23-16(24)8-9-17(23)25/h3-7,10H,8-9H2,1-2H3
InChIKeyMUZAKXNHXLLLKW-UHFFFAOYSA-N
XLogP3.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol
CID 91469465
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
CID 82080534
7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole
CID 59702308
7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile
CID 59702374
7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde
CID 157157508
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea
CID 68615025
7-(2,4-dichlorophenyl)-2-methyl-N-propylindazol-3-amine;hydrochloride
CID 172740552
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate
CID 68614157
1-[8-(4-chloro-2-methylphenyl)-2-methylquinolin-4-yl]propan-1-one
CID 18629408
4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine
CID 21094603
1-(4-chloro-2-methylphenyl)-2-methoxy-3-methylbenzene
CID 139342224

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione (CID 143553940) is 1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione is Cc1cc(Cl)ccc1-c1cccc2c(N3C(=O)CCC3=O)n(C)nc12.
What is the InChIKey of 1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione?
The InChIKey is MUZAKXNHXLLLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-11-10-12(20)6-7-13(11)14-4-3-5-15-18(14)21-22(2)19(15)23-16(24)8-9-17(23)25/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione?
1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione has a molecular weight of 353.81 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-chloro-2-methylphenyl)-2-methylindazol-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 143553940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).