N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine

C16H16ClN3 — CID 59514208

IUPACN-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine
SMILESCc1nn(C)c2cc(NCc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C16H16ClN3/c1-11-15-8-7-14(9-16(15)20(2)19-11)18-10-12-3-5-13(17)6-4-12/h3-9,18H,10H2,1-2H3
InChIKeyLOARGDLDEPZGIS-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.15
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine

N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine (PubChem CID 59514208) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine
PubChem CID59514208
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC NameN-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine
SMILESCc1nn(C)c2cc(NCc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C16H16ClN3/c1-11-15-8-7-14(9-16(15)20(2)19-11)18-10-12-3-5-13(17)6-4-12/h3-9,18H,10H2,1-2H3
InChIKeyLOARGDLDEPZGIS-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine (CID 59514208) is N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine is Cc1nn(C)c2cc(NCc3ccc(Cl)cc3)ccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine?
The InChIKey is LOARGDLDEPZGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-11-15-8-7-14(9-16(15)20(2)19-11)18-10-12-3-5-13(17)6-4-12/h3-9,18H,10H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine?
N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine has a molecular weight of 285.78 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1,3-dimethylindazol-6-amine is sourced from PubChem (CID 59514208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).