(4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol

C17H17FN2O — CID 68802230

IUPAC(4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol
SMILESC[C@H]1C2=C(C3=C(CCC3)C1O)C(c1ccc(F)cc1)N=N2
InChIInChI=1S/C17H17FN2O/c1-9-15-14(12-3-2-4-13(12)17(9)21)16(20-19-15)10-5-7-11(18)8-6-10/h5-9,16-17,21H,2-4H2,1H3/t9-,16?,17?/m0/s1
InChIKeyNXVRPVVKLLFWNB-VGXVPSNOSA-N
MW284.33 g/mol
LogP4.08
Rot. Bonds1

About (4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol

(4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol (PubChem CID 68802230) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol.

Molecular Properties

Compound Name(4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol
PubChem CID68802230
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol
SMILESC[C@H]1C2=C(C3=C(CCC3)C1O)C(c1ccc(F)cc1)N=N2
InChIInChI=1S/C17H17FN2O/c1-9-15-14(12-3-2-4-13(12)17(9)21)16(20-19-15)10-5-7-11(18)8-6-10/h5-9,16-17,21H,2-4H2,1H3/t9-,16?,17?/m0/s1
InChIKeyNXVRPVVKLLFWNB-VGXVPSNOSA-N
XLogP4.08
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.08
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-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol?
The IUPAC name of (4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol (CID 68802230) is (4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol.
What is the SMILES notation for (4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol?
The canonical SMILES for (4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol is C[C@H]1C2=C(C3=C(CCC3)C1O)C(c1ccc(F)cc1)N=N2.
What is the InChIKey of (4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol?
The InChIKey is NXVRPVVKLLFWNB-VGXVPSNOSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-9-15-14(12-3-2-4-13(12)17(9)21)16(20-19-15)10-5-7-11(18)8-6-10/h5-9,16-17,21H,2-4H2,1H3/t9-,16?,17?/m0/s1.
What are the key properties of (4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol?
(4S)-1-(4-fluorophenyl)-4-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol has a molecular weight of 284.33 g/mol, XLogP of 4.08, 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-methyl-1,4,5,6,7,8-hexahydrocyclopenta[e]indazol-5-ol is sourced from PubChem (CID 68802230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).