4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol

C18H17F3N2O2 — CID 135566806

IUPAC4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
SMILESCC(C)Cn1nc(-c2ccc(O)cc2O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C18H17F3N2O2/c1-10(2)9-23-17-13(4-3-5-14(17)18(19,20)21)16(22-23)12-7-6-11(24)8-15(12)25/h3-8,10,24-25H,9H2,1-2H3
InChIKeyPDWOJCOXEXKXOQ-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.79
Rot. Bonds3

About 4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol

4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol (PubChem CID 135566806) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
PubChem CID135566806
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
SMILESCC(C)Cn1nc(-c2ccc(O)cc2O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C18H17F3N2O2/c1-10(2)9-23-17-13(4-3-5-14(17)18(19,20)21)16(22-23)12-7-6-11(24)8-15(12)25/h3-8,10,24-25H,9H2,1-2H3
InChIKeyPDWOJCOXEXKXOQ-UHFFFAOYSA-N
XLogP4.79
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol (CID 135566806) is 4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol is CC(C)Cn1nc(-c2ccc(O)cc2O)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol?
The InChIKey is PDWOJCOXEXKXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-10(2)9-23-17-13(4-3-5-14(17)18(19,20)21)16(22-23)12-7-6-11(24)8-15(12)25/h3-8,10,24-25H,9H2,1-2H3.
What are the key properties of 4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol?
4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol has a molecular weight of 350.34 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylpropyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 135566806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).