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

C19H18FN5 — CID 21092522

IUPAC5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
SMILESCCCCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1
InChIInChI=1S/C19H18FN5/c1-2-3-4-17-21-19(25-23-17)13-7-10-16-15(11-13)18(24-22-16)12-5-8-14(20)9-6-12/h5-11H,2-4H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyFYRSSQJWTIXHCZ-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.50
Rot. Bonds5

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

5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole (PubChem CID 21092522) has the molecular formula C19H18FN5 and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole.

Molecular Properties

Compound Name5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
PubChem CID21092522
Molecular FormulaC19H18FN5
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
SMILESCCCCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1
InChIInChI=1S/C19H18FN5/c1-2-3-4-17-21-19(25-23-17)13-7-10-16-15(11-13)18(24-22-16)12-5-8-14(20)9-6-12/h5-11H,2-4H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyFYRSSQJWTIXHCZ-UHFFFAOYSA-N
XLogP4.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
The IUPAC name of 5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole (CID 21092522) is 5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole.
What is the SMILES notation for 5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
The canonical SMILES for 5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole is CCCCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.
What is the InChIKey of 5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
The InChIKey is FYRSSQJWTIXHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5/c1-2-3-4-17-21-19(25-23-17)13-7-10-16-15(11-13)18(24-22-16)12-5-8-14(20)9-6-12/h5-11H,2-4H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of 5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole?
5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole has a molecular weight of 335.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole is sourced from PubChem (CID 21092522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).