1-(3-chlorophenyl)-2-indazol-1-ylethanone

C15H11ClN2O — CID 62141890

IUPAC1-(3-chlorophenyl)-2-indazol-1-ylethanone
SMILESO=C(Cn1ncc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O/c16-13-6-3-5-11(8-13)15(19)10-18-14-7-2-1-4-12(14)9-17-18/h1-9H,10H2
InChIKeyBUGRSWFBHNUYCJ-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.57
Rot. Bonds3

About 1-(3-chlorophenyl)-2-indazol-1-ylethanone

1-(3-chlorophenyl)-2-indazol-1-ylethanone (PubChem CID 62141890) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-indazol-1-ylethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-indazol-1-ylethanone
PubChem CID62141890
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name1-(3-chlorophenyl)-2-indazol-1-ylethanone
SMILESO=C(Cn1ncc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O/c16-13-6-3-5-11(8-13)15(19)10-18-14-7-2-1-4-12(14)9-17-18/h1-9H,10H2
InChIKeyBUGRSWFBHNUYCJ-UHFFFAOYSA-N
XLogP3.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-indazol-1-ylethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-indazol-1-ylethanone (CID 62141890) is 1-(3-chlorophenyl)-2-indazol-1-ylethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-indazol-1-ylethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-indazol-1-ylethanone is O=C(Cn1ncc2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-indazol-1-ylethanone?
The InChIKey is BUGRSWFBHNUYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-6-3-5-11(8-13)15(19)10-18-14-7-2-1-4-12(14)9-17-18/h1-9H,10H2.
What are the key properties of 1-(3-chlorophenyl)-2-indazol-1-ylethanone?
1-(3-chlorophenyl)-2-indazol-1-ylethanone has a molecular weight of 270.72 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-indazol-1-ylethanone is sourced from PubChem (CID 62141890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).