(4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone

C19H23ClN2O — CID 5176805

IUPAC(4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)N1N=C2CCCCC2C12CCCCC2
InChIInChI=1S/C19H23ClN2O/c20-15-10-8-14(9-11-15)18(23)22-19(12-4-1-5-13-19)16-6-2-3-7-17(16)21-22/h8-11,16H,1-7,12-13H2
InChIKeyQMAZWGFWWGYZKR-UHFFFAOYSA-N
MW330.86 g/mol
LogP5.04
Rot. Bonds1

About (4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone

(4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone (PubChem CID 5176805) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is (4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone.

Molecular Properties

Compound Name(4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone
PubChem CID5176805
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name(4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone
SMILESO=C(c1ccc(Cl)cc1)N1N=C2CCCCC2C12CCCCC2
InChIInChI=1S/C19H23ClN2O/c20-15-10-8-14(9-11-15)18(23)22-19(12-4-1-5-13-19)16-6-2-3-7-17(16)21-22/h8-11,16H,1-7,12-13H2
InChIKeyQMAZWGFWWGYZKR-UHFFFAOYSA-N
XLogP5.04
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.86
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone 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 (4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone?
The IUPAC name of (4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone (CID 5176805) is (4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone.
What is the SMILES notation for (4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone?
The canonical SMILES for (4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone is O=C(c1ccc(Cl)cc1)N1N=C2CCCCC2C12CCCCC2.
What is the InChIKey of (4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone?
The InChIKey is QMAZWGFWWGYZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c20-15-10-8-14(9-11-15)18(23)22-19(12-4-1-5-13-19)16-6-2-3-7-17(16)21-22/h8-11,16H,1-7,12-13H2.
What are the key properties of (4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone?
(4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone has a molecular weight of 330.86 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-spiro[4,5,6,7-tetrahydro-3aH-indazole-3,1'-cyclohexane]-2-ylmethanone is sourced from PubChem (CID 5176805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).