3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole

C20H20FN5 — CID 11382493

IUPAC3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCc1cc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)ccc1F
InChIInChI=1S/C20H20FN5/c1-11(2)8-18-22-20(26-24-18)14-5-7-17-15(10-14)19(25-23-17)13-4-6-16(21)12(3)9-13/h4-7,9-11H,8H2,1-3H3,(H,23,25)(H,22,24,26)
InChIKeyGHDCWDLPNSGGMD-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.66
Rot. Bonds4

About 3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole

3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (PubChem CID 11382493) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
PubChem CID11382493
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCc1cc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)ccc1F
InChIInChI=1S/C20H20FN5/c1-11(2)8-18-22-20(26-24-18)14-5-7-17-15(10-14)19(25-23-17)13-4-6-16(21)12(3)9-13/h4-7,9-11H,8H2,1-3H3,(H,23,25)(H,22,24,26)
InChIKeyGHDCWDLPNSGGMD-UHFFFAOYSA-N
XLogP4.66
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (CID 11382493) is 3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is Cc1cc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The InChIKey is GHDCWDLPNSGGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c1-11(2)8-18-22-20(26-24-18)14-5-7-17-15(10-14)19(25-23-17)13-4-6-16(21)12(3)9-13/h4-7,9-11H,8H2,1-3H3,(H,23,25)(H,22,24,26).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole has a molecular weight of 349.41 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is sourced from PubChem (CID 11382493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).