1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride

C19H24ClN3O2 — CID 131667992

IUPAC1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride
SMILESCN(C)CCCOc1nn(Cc2ccccc2)c2ccc(O)cc12.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-21(2)11-6-12-24-19-17-13-16(23)9-10-18(17)22(20-19)14-15-7-4-3-5-8-15;/h3-5,7-10,13,23H,6,11-12,14H2,1-2H3;1H
InChIKeyKXCCGANRGMOPNC-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.54
Rot. Bonds7

About 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride

1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride (PubChem CID 131667992) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride
PubChem CID131667992
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride
SMILESCN(C)CCCOc1nn(Cc2ccccc2)c2ccc(O)cc12.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-21(2)11-6-12-24-19-17-13-16(23)9-10-18(17)22(20-19)14-15-7-4-3-5-8-15;/h3-5,7-10,13,23H,6,11-12,14H2,1-2H3;1H
InChIKeyKXCCGANRGMOPNC-UHFFFAOYSA-N
XLogP3.54
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride?
The IUPAC name of 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride (CID 131667992) is 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride.
What is the SMILES notation for 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride?
The canonical SMILES for 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride is CN(C)CCCOc1nn(Cc2ccccc2)c2ccc(O)cc12.Cl.
What is the InChIKey of 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride?
The InChIKey is KXCCGANRGMOPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-21(2)11-6-12-24-19-17-13-16(23)9-10-18(17)22(20-19)14-15-7-4-3-5-8-15;/h3-5,7-10,13,23H,6,11-12,14H2,1-2H3;1H.
What are the key properties of 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride?
1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride is sourced from PubChem (CID 131667992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).