4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol

C20H20F3N3O — CID 162676829

IUPAC4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol
SMILESOc1ccc2[nH]ncc2c1C(c1ccc(C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)14-6-4-13(5-7-14)19(26-10-2-1-3-11-26)18-15-12-24-25-16(15)8-9-17(18)27/h4-9,12,19,27H,1-3,10-11H2,(H,24,25)
InChIKeyHLZKBGYHPCTOFC-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.86
Rot. Bonds3

About 4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol

4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol (PubChem CID 162676829) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is 4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol.

Molecular Properties

Compound Name4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol
PubChem CID162676829
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Name4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol
SMILESOc1ccc2[nH]ncc2c1C(c1ccc(C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)14-6-4-13(5-7-14)19(26-10-2-1-3-11-26)18-15-12-24-25-16(15)8-9-17(18)27/h4-9,12,19,27H,1-3,10-11H2,(H,24,25)
InChIKeyHLZKBGYHPCTOFC-UHFFFAOYSA-N
XLogP4.86
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(6S,8R)-7-(2,2-difluoropropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-methoxyphenyl]prop-2-enoic acid
CID 132046817
(E)-3-[4-[(6S,8R)-7-(2,2-difluoropropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-fluoro-5-methoxyphenyl]prop-2-enoic acid
CID 132046819
(E)-3-[4-[(6S,8R)-7-(2,2-difluoropropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-2-fluoro-5-methoxyphenyl]prop-2-enoic acid
CID 155566802
4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole
CID 136901416
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide
CID 155545338
4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
CID 162643640
4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
CID 162651974
4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol
CID 162662166
3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol
CID 164621474
4-(1H-indazol-6-yl)phenol
CID 136301774
2-fluoro-4-(1H-indazol-6-yl)phenol
CID 145956264
3-[[3-[(1H-Indazol-5-yl)amino]piperidin-1-yl]methyl]phenol
CID 57446049

Frequently Asked Questions

What is the IUPAC name of 4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol?
The IUPAC name of 4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol (CID 162676829) is 4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol.
What is the SMILES notation for 4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol?
The canonical SMILES for 4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol is Oc1ccc2[nH]ncc2c1C(c1ccc(C(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of 4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol?
The InChIKey is HLZKBGYHPCTOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c21-20(22,23)14-6-4-13(5-7-14)19(26-10-2-1-3-11-26)18-15-12-24-25-16(15)8-9-17(18)27/h4-9,12,19,27H,1-3,10-11H2,(H,24,25).
What are the key properties of 4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol?
4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol has a molecular weight of 375.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol is sourced from PubChem (CID 162676829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).