5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole

C20H18FN5 — CID 11198823

IUPAC5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(C5CCCC5)n4)cc23)cc1
InChIInChI=1S/C20H18FN5/c21-15-8-5-12(6-9-15)18-16-11-14(7-10-17(16)23-24-18)20-22-19(25-26-20)13-3-1-2-4-13/h5-11,13H,1-4H2,(H,23,24)(H,22,25,26)
InChIKeyYQIYTGJLPGBTRP-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.81
Rot. Bonds3

About 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole

5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole (PubChem CID 11198823) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole.

Molecular Properties

Compound Name5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
PubChem CID11198823
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(C5CCCC5)n4)cc23)cc1
InChIInChI=1S/C20H18FN5/c21-15-8-5-12(6-9-15)18-16-11-14(7-10-17(16)23-24-18)20-22-19(25-26-20)13-3-1-2-4-13/h5-11,13H,1-4H2,(H,23,24)(H,22,25,26)
InChIKeyYQIYTGJLPGBTRP-UHFFFAOYSA-N
XLogP4.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
The IUPAC name of 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole (CID 11198823) is 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole.
What is the SMILES notation for 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
The canonical SMILES for 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole is Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(C5CCCC5)n4)cc23)cc1.
What is the InChIKey of 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
The InChIKey is YQIYTGJLPGBTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c21-15-8-5-12(6-9-15)18-16-11-14(7-10-17(16)23-24-18)20-22-19(25-26-20)13-3-1-2-4-13/h5-11,13H,1-4H2,(H,23,24)(H,22,25,26).
What are the key properties of 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole has a molecular weight of 347.40 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole is sourced from PubChem (CID 11198823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).