2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol

C18H17F3N2O — CID 141303420

IUPAC2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Cn2ncc3ccccc32)c(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O/c1-17(2,24)14-8-7-13(15(9-14)18(19,20)21)11-23-16-6-4-3-5-12(16)10-22-23/h3-10,24H,11H2,1-2H3
InChIKeyQWVCGOSKBVVUKP-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.33
Rot. Bonds3

About 2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol

2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 141303420) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID141303420
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Cn2ncc3ccccc32)c(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O/c1-17(2,24)14-8-7-13(15(9-14)18(19,20)21)11-23-16-6-4-3-5-12(16)10-22-23/h3-10,24H,11H2,1-2H3
InChIKeyQWVCGOSKBVVUKP-UHFFFAOYSA-N
XLogP4.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol (CID 141303420) is 2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol is CC(C)(O)c1ccc(Cn2ncc3ccccc32)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is QWVCGOSKBVVUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-17(2,24)14-8-7-13(15(9-14)18(19,20)21)11-23-16-6-4-3-5-12(16)10-22-23/h3-10,24H,11H2,1-2H3.
What are the key properties of 2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol?
2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 334.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(indazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 141303420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).