4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol

C17H15F3N2O — CID 135428120

IUPAC4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol
SMILESCC(C)n1nc(-c2ccc(O)cc2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C17H15F3N2O/c1-10(2)22-16-13(4-3-5-14(16)17(18,19)20)15(21-22)11-6-8-12(23)9-7-11/h3-10,23H,1-2H3
InChIKeyGOVUQMINVPOQRS-UHFFFAOYSA-N
MW320.31 g/mol
LogP5.01
Rot. Bonds2

About 4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol

4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol (PubChem CID 135428120) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol.

Molecular Properties

Compound Name4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol
PubChem CID135428120
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol
SMILESCC(C)n1nc(-c2ccc(O)cc2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C17H15F3N2O/c1-10(2)22-16-13(4-3-5-14(16)17(18,19)20)15(21-22)11-6-8-12(23)9-7-11/h3-10,23H,1-2H3
InChIKeyGOVUQMINVPOQRS-UHFFFAOYSA-N
XLogP5.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.31
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol?
The IUPAC name of 4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol (CID 135428120) is 4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol.
What is the SMILES notation for 4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol?
The canonical SMILES for 4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol is CC(C)n1nc(-c2ccc(O)cc2)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol?
The InChIKey is GOVUQMINVPOQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-10(2)22-16-13(4-3-5-14(16)17(18,19)20)15(21-22)11-6-8-12(23)9-7-11/h3-10,23H,1-2H3.
What are the key properties of 4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol?
4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol has a molecular weight of 320.31 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-propan-2-yl-7-(trifluoromethyl)indazol-3-yl]phenol is sourced from PubChem (CID 135428120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).