N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide

C15H20N4O2 — CID 175830927

IUPACN-(3-morpholin-4-ylpropyl)indazole-1-carboxamide
SMILESO=C(NCCCN1CCOCC1)n1ncc2ccccc21
InChIInChI=1S/C15H20N4O2/c20-15(16-6-3-7-18-8-10-21-11-9-18)19-14-5-2-1-4-13(14)12-17-19/h1-2,4-5,12H,3,6-11H2,(H,16,20)
InChIKeyCFJAYERWZSXDLX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.32
Rot. Bonds4

About N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide

N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide (PubChem CID 175830927) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)indazole-1-carboxamide
PubChem CID175830927
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(3-morpholin-4-ylpropyl)indazole-1-carboxamide
SMILESO=C(NCCCN1CCOCC1)n1ncc2ccccc21
InChIInChI=1S/C15H20N4O2/c20-15(16-6-3-7-18-8-10-21-11-9-18)19-14-5-2-1-4-13(14)12-17-19/h1-2,4-5,12H,3,6-11H2,(H,16,20)
InChIKeyCFJAYERWZSXDLX-UHFFFAOYSA-N
XLogP1.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.32
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 N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide (CID 175830927) is N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide is O=C(NCCCN1CCOCC1)n1ncc2ccccc21.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide?
The InChIKey is CFJAYERWZSXDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-15(16-6-3-7-18-8-10-21-11-9-18)19-14-5-2-1-4-13(14)12-17-19/h1-2,4-5,12H,3,6-11H2,(H,16,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide?
N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide is sourced from PubChem (CID 175830927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).