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

C19H18FN5 — CID 11232937

IUPAC5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
SMILESCC(C)(C)c1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1
InChIInChI=1S/C19H18FN5/c1-19(2,3)18-21-17(24-25-18)12-6-9-15-14(10-12)16(23-22-15)11-4-7-13(20)8-5-11/h4-10H,1-3H3,(H,22,23)(H,21,24,25)
InChIKeyUEYNNJBXTPCHEP-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.45
Rot. Bonds2

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

5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole (PubChem CID 11232937) has the molecular formula C19H18FN5 and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole.

Molecular Properties

Compound Name5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
PubChem CID11232937
Molecular FormulaC19H18FN5
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
SMILESCC(C)(C)c1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1
InChIInChI=1S/C19H18FN5/c1-19(2,3)18-21-17(24-25-18)12-6-9-15-14(10-12)16(23-22-15)11-4-7-13(20)8-5-11/h4-10H,1-3H3,(H,22,23)(H,21,24,25)
InChIKeyUEYNNJBXTPCHEP-UHFFFAOYSA-N
XLogP4.45
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
The IUPAC name of 5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole (CID 11232937) is 5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole.
What is the SMILES notation for 5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
The canonical SMILES for 5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole is CC(C)(C)c1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.
What is the InChIKey of 5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
The InChIKey is UEYNNJBXTPCHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5/c1-19(2,3)18-21-17(24-25-18)12-6-9-15-14(10-12)16(23-22-15)11-4-7-13(20)8-5-11/h4-10H,1-3H3,(H,22,23)(H,21,24,25).
What are the key properties of 5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole has a molecular weight of 335.39 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole is sourced from PubChem (CID 11232937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).