4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol

C18H17FN2O — CID 135524867

IUPAC4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol
SMILESOc1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1
InChIInChI=1S/C18H17FN2O/c19-16-7-3-6-15-17(12-8-10-14(22)11-9-12)20-21(18(15)16)13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2
InChIKeyIYPUUNMLLKLEOH-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.66
Rot. Bonds2

About 4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol

4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol (PubChem CID 135524867) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol.

Molecular Properties

Compound Name4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol
PubChem CID135524867
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol
SMILESOc1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1
InChIInChI=1S/C18H17FN2O/c19-16-7-3-6-15-17(12-8-10-14(22)11-9-12)20-21(18(15)16)13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2
InChIKeyIYPUUNMLLKLEOH-UHFFFAOYSA-N
XLogP4.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol?
The IUPAC name of 4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol (CID 135524867) is 4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol.
What is the SMILES notation for 4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol?
The canonical SMILES for 4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol is Oc1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1.
What is the InChIKey of 4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol?
The InChIKey is IYPUUNMLLKLEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c19-16-7-3-6-15-17(12-8-10-14(22)11-9-12)20-21(18(15)16)13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2.
What are the key properties of 4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol?
4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol has a molecular weight of 296.35 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyl-7-fluoroindazol-3-yl)phenol is sourced from PubChem (CID 135524867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).