N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride

C17H24ClN3O2 — CID 56812599

IUPACN-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
SMILESCOc1cc(CNC2CCCc3c2cnn3C)cc(OC)c1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-20-17-6-4-5-16(15(17)11-19-20)18-10-12-7-13(21-2)9-14(8-12)22-3;/h7-9,11,16,18H,4-6,10H2,1-3H3;1H
InChIKeyYTKZBSNEGWBUQQ-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.03
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride

N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride (PubChem CID 56812599) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
PubChem CID56812599
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
SMILESCOc1cc(CNC2CCCc3c2cnn3C)cc(OC)c1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-20-17-6-4-5-16(15(17)11-19-20)18-10-12-7-13(21-2)9-14(8-12)22-3;/h7-9,11,16,18H,4-6,10H2,1-3H3;1H
InChIKeyYTKZBSNEGWBUQQ-UHFFFAOYSA-N
XLogP3.03
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride (CID 56812599) is N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride is COc1cc(CNC2CCCc3c2cnn3C)cc(OC)c1.Cl.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride?
The InChIKey is YTKZBSNEGWBUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-20-17-6-4-5-16(15(17)11-19-20)18-10-12-7-13(21-2)9-14(8-12)22-3;/h7-9,11,16,18H,4-6,10H2,1-3H3;1H.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride?
N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride is sourced from PubChem (CID 56812599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).