1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol

C21H37N5O — CID 13210608

IUPAC1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol
SMILESCCN(CC)CCCNc1nn(CCCN(CC)CC)c2c(O)cccc12
InChIInChI=1S/C21H37N5O/c1-5-24(6-2)15-10-14-22-21-18-12-9-13-19(27)20(18)26(23-21)17-11-16-25(7-3)8-4/h9,12-13,27H,5-8,10-11,14-17H2,1-4H3,(H,22,23)
InChIKeyDFGIIAWULYMJOT-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.62
Rot. Bonds13

About 1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol

1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol (PubChem CID 13210608) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol
PubChem CID13210608
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol
SMILESCCN(CC)CCCNc1nn(CCCN(CC)CC)c2c(O)cccc12
InChIInChI=1S/C21H37N5O/c1-5-24(6-2)15-10-14-22-21-18-12-9-13-19(27)20(18)26(23-21)17-11-16-25(7-3)8-4/h9,12-13,27H,5-8,10-11,14-17H2,1-4H3,(H,22,23)
InChIKeyDFGIIAWULYMJOT-UHFFFAOYSA-N
XLogP3.62
TPSA56.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol (CID 13210608) is 1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol is CCN(CC)CCCNc1nn(CCCN(CC)CC)c2c(O)cccc12.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol?
The InChIKey is DFGIIAWULYMJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-5-24(6-2)15-10-14-22-21-18-12-9-13-19(27)20(18)26(23-21)17-11-16-25(7-3)8-4/h9,12-13,27H,5-8,10-11,14-17H2,1-4H3,(H,22,23).
What are the key properties of 1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol?
1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol has a molecular weight of 375.56 g/mol, XLogP of 3.62, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol is sourced from PubChem (CID 13210608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).