4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol

C19H25N3O2 — CID 67815038

IUPAC4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol
SMILESOC1CCC(CCN2CCOCC2)c2cnn(-c3ccccc3)c21
InChIInChI=1S/C19H25N3O2/c23-18-7-6-15(8-9-21-10-12-24-13-11-21)17-14-20-22(19(17)18)16-4-2-1-3-5-16/h1-5,14-15,18,23H,6-13H2
InChIKeyLKPKJGFTGLWXPE-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.51
Rot. Bonds4

About 4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol

4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol (PubChem CID 67815038) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol
PubChem CID67815038
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol
SMILESOC1CCC(CCN2CCOCC2)c2cnn(-c3ccccc3)c21
InChIInChI=1S/C19H25N3O2/c23-18-7-6-15(8-9-21-10-12-24-13-11-21)17-14-20-22(19(17)18)16-4-2-1-3-5-16/h1-5,14-15,18,23H,6-13H2
InChIKeyLKPKJGFTGLWXPE-UHFFFAOYSA-N
XLogP2.51
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol?
The IUPAC name of 4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol (CID 67815038) is 4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol.
What is the SMILES notation for 4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol?
The canonical SMILES for 4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol is OC1CCC(CCN2CCOCC2)c2cnn(-c3ccccc3)c21.
What is the InChIKey of 4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol?
The InChIKey is LKPKJGFTGLWXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18-7-6-15(8-9-21-10-12-24-13-11-21)17-14-20-22(19(17)18)16-4-2-1-3-5-16/h1-5,14-15,18,23H,6-13H2.
What are the key properties of 4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol?
4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol has a molecular weight of 327.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol is sourced from PubChem (CID 67815038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).