(4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol

C13H13FN2O — CID 95732313

IUPAC(4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol
SMILESO[C@H]1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O/c14-9-4-6-10(7-5-9)16-12-2-1-3-13(17)11(12)8-15-16/h4-8,13,17H,1-3H2/t13-/m0/s1
InChIKeyATCSYVJYDYWRKP-ZDUSSCGKSA-N
MW232.26 g/mol
LogP2.38
Rot. Bonds1

About (4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol

(4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 95732313) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name(4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID95732313
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol
SMILESO[C@H]1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O/c14-9-4-6-10(7-5-9)16-12-2-1-3-13(17)11(12)8-15-16/h4-8,13,17H,1-3H2/t13-/m0/s1
InChIKeyATCSYVJYDYWRKP-ZDUSSCGKSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of (4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol (CID 95732313) is (4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for (4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for (4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol is O[C@H]1CCCc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of (4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is ATCSYVJYDYWRKP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-9-4-6-10(7-5-9)16-12-2-1-3-13(17)11(12)8-15-16/h4-8,13,17H,1-3H2/t13-/m0/s1.
What are the key properties of (4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol?
(4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 232.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 95732313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).