[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

C18H20FN3O2 — CID 17442657

IUPAC[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CCOCC1
InChIInChI=1S/C18H20FN3O2/c19-13-5-7-14(8-6-13)22-16-4-2-1-3-15(16)17(20-22)18(23)21-9-11-24-12-10-21/h5-8H,1-4,9-12H2
InChIKeyCUZMOWAPQWLOQO-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.36
Rot. Bonds2

About [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 17442657) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
PubChem CID17442657
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CCOCC1
InChIInChI=1S/C18H20FN3O2/c19-13-5-7-14(8-6-13)22-16-4-2-1-3-15(16)17(20-22)18(23)21-9-11-24-12-10-21/h5-8H,1-4,9-12H2
InChIKeyCUZMOWAPQWLOQO-UHFFFAOYSA-N
XLogP2.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (CID 17442657) is [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is O=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CCOCC1.
What is the InChIKey of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CUZMOWAPQWLOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-13-5-7-14(8-6-13)22-16-4-2-1-3-15(16)17(20-22)18(23)21-9-11-24-12-10-21/h5-8H,1-4,9-12H2.
What are the key properties of [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 329.38 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 17442657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).