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

C18H16FN5 — CID 20789046

IUPAC3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
SMILESCC(C)c1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1
InChIInChI=1S/C18H16FN5/c1-10(2)17-20-18(24-23-17)12-5-8-15-14(9-12)16(22-21-15)11-3-6-13(19)7-4-11/h3-10H,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyFKWXWVURYIAWJK-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.28
Rot. Bonds3

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

3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole (PubChem CID 20789046) has the molecular formula C18H16FN5 and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
PubChem CID20789046
Molecular FormulaC18H16FN5
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC Name3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
SMILESCC(C)c1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1
InChIInChI=1S/C18H16FN5/c1-10(2)17-20-18(24-23-17)12-5-8-15-14(9-12)16(22-21-15)11-3-6-13(19)7-4-11/h3-10H,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyFKWXWVURYIAWJK-UHFFFAOYSA-N
XLogP4.28
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole (CID 20789046) is 3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole is CC(C)c1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The InChIKey is FKWXWVURYIAWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5/c1-10(2)17-20-18(24-23-17)12-5-8-15-14(9-12)16(22-21-15)11-3-6-13(19)7-4-11/h3-10H,1-2H3,(H,21,22)(H,20,23,24).
What are the key properties of 3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole?
3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole has a molecular weight of 321.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole is sourced from PubChem (CID 20789046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).