3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde

C13H15N3O2 — CID 24958742

IUPAC3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde
SMILESO=Cc1ccc2n[nH]c(CN3CCOCC3)c2c1
InChIInChI=1S/C13H15N3O2/c17-9-10-1-2-12-11(7-10)13(15-14-12)8-16-3-5-18-6-4-16/h1-2,7,9H,3-6,8H2,(H,14,15)
InChIKeyNQPTWHJKFFTGKY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.21
Rot. Bonds3

About 3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde

3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde (PubChem CID 24958742) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde
PubChem CID24958742
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde
SMILESO=Cc1ccc2n[nH]c(CN3CCOCC3)c2c1
InChIInChI=1S/C13H15N3O2/c17-9-10-1-2-12-11(7-10)13(15-14-12)8-16-3-5-18-6-4-16/h1-2,7,9H,3-6,8H2,(H,14,15)
InChIKeyNQPTWHJKFFTGKY-UHFFFAOYSA-N
XLogP1.21
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde?
The IUPAC name of 3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde (CID 24958742) is 3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde is O=Cc1ccc2n[nH]c(CN3CCOCC3)c2c1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde?
The InChIKey is NQPTWHJKFFTGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-9-10-1-2-12-11(7-10)13(15-14-12)8-16-3-5-18-6-4-16/h1-2,7,9H,3-6,8H2,(H,14,15).
What are the key properties of 3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde?
3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde has a molecular weight of 245.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde is sourced from PubChem (CID 24958742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).