6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine

C16H19Cl2N3O2 — CID 151915585

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCNc1n[nH]c2c1CCC(c1c(Cl)c(OC)cc(OC)c1Cl)C2
InChIInChI=1S/C16H19Cl2N3O2/c1-19-16-9-5-4-8(6-10(9)20-21-16)13-14(17)11(22-2)7-12(23-3)15(13)18/h7-8H,4-6H2,1-3H3,(H2,19,20,21)
InChIKeySVRQDOHQCCXQHC-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.05
Rot. Bonds4

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine

6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 151915585) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID151915585
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCNc1n[nH]c2c1CCC(c1c(Cl)c(OC)cc(OC)c1Cl)C2
InChIInChI=1S/C16H19Cl2N3O2/c1-19-16-9-5-4-8(6-10(9)20-21-16)13-14(17)11(22-2)7-12(23-3)15(13)18/h7-8H,4-6H2,1-3H3,(H2,19,20,21)
InChIKeySVRQDOHQCCXQHC-UHFFFAOYSA-N
XLogP4.05
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine with MolForge

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Related Compounds

CID 138457835
CID 138457835
CID 155065806
CID 155065806
CID 138458036
CID 138458036
CID 154987626
CID 154987626
CID 129308232
CID 129308232
CID 130471029
CID 130471029
CID 138457760
CID 138457760
CID 138457763
CID 138457763
CID 138457764
CID 138457764
CID 138457785
CID 138457785
CID 138457786
CID 138457786
CID 138457812
CID 138457812

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 151915585) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine is CNc1n[nH]c2c1CCC(c1c(Cl)c(OC)cc(OC)c1Cl)C2.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is SVRQDOHQCCXQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-19-16-9-5-4-8(6-10(9)20-21-16)13-14(17)11(22-2)7-12(23-3)15(13)18/h7-8H,4-6H2,1-3H3,(H2,19,20,21).
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 356.25 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 151915585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).