[1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol

C15H11F3N2O2 — CID 122424160

IUPAC[1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol
SMILESOCc1ccc2c(cnn2-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)22-13-4-2-12(3-5-13)20-14-6-1-10(9-21)7-11(14)8-19-20/h1-8,21H,9H2
InChIKeyBPERYIPFDNKFRQ-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.42
Rot. Bonds3

About [1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol

[1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol (PubChem CID 122424160) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is [1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol.

Molecular Properties

Compound Name[1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol
PubChem CID122424160
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name[1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol
SMILESOCc1ccc2c(cnn2-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)22-13-4-2-12(3-5-13)20-14-6-1-10(9-21)7-11(14)8-19-20/h1-8,21H,9H2
InChIKeyBPERYIPFDNKFRQ-UHFFFAOYSA-N
XLogP3.42
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol?
The IUPAC name of [1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol (CID 122424160) is [1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol.
What is the SMILES notation for [1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol?
The canonical SMILES for [1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol is OCc1ccc2c(cnn2-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of [1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol?
The InChIKey is BPERYIPFDNKFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)22-13-4-2-12(3-5-13)20-14-6-1-10(9-21)7-11(14)8-19-20/h1-8,21H,9H2.
What are the key properties of [1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol?
[1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol has a molecular weight of 308.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethoxy)phenyl]indazol-5-yl]methanol is sourced from PubChem (CID 122424160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).