2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine

C17H18ClN3 — CID 12819465

IUPAC2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C17H18ClN3/c1-20(2)10-11-21-16-9-8-14(18)12-15(16)17(19-21)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChIKeyZRBBIQLWWCANCI-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.92
Rot. Bonds4

About 2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine

2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine (PubChem CID 12819465) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine
PubChem CID12819465
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C17H18ClN3/c1-20(2)10-11-21-16-9-8-14(18)12-15(16)17(19-21)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChIKeyZRBBIQLWWCANCI-UHFFFAOYSA-N
XLogP3.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine (CID 12819465) is 2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine is CN(C)CCn1nc(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine?
The InChIKey is ZRBBIQLWWCANCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-20(2)10-11-21-16-9-8-14(18)12-15(16)17(19-21)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine?
2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine has a molecular weight of 299.81 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 12819465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).