ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate

C19H16FN5O2 — CID 22479904

IUPACethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)n[nH]1
InChIInChI=1S/C19H16FN5O2/c1-2-27-18(26)10-17-22-19(24-23-17)12-3-8-16-13(9-12)11-21-25(16)15-6-4-14(20)5-7-15/h3-9,11H,2,10H2,1H3,(H,22,23,24)
InChIKeyOLEVZIWCXRUIHW-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.06
Rot. Bonds5

About ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate

ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate (PubChem CID 22479904) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate
PubChem CID22479904
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Nameethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)n[nH]1
InChIInChI=1S/C19H16FN5O2/c1-2-27-18(26)10-17-22-19(24-23-17)12-3-8-16-13(9-12)11-21-25(16)15-6-4-14(20)5-7-15/h3-9,11H,2,10H2,1H3,(H,22,23,24)
InChIKeyOLEVZIWCXRUIHW-UHFFFAOYSA-N
XLogP3.06
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate?
The IUPAC name of ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate (CID 22479904) is ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate is CCOC(=O)Cc1nc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)n[nH]1.
What is the InChIKey of ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate?
The InChIKey is OLEVZIWCXRUIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-2-27-18(26)10-17-22-19(24-23-17)12-3-8-16-13(9-12)11-21-25(16)15-6-4-14(20)5-7-15/h3-9,11H,2,10H2,1H3,(H,22,23,24).
What are the key properties of ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate?
ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate has a molecular weight of 365.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[1-(4-fluorophenyl)indazol-5-yl]-1H-1,2,4-triazol-5-yl]acetate is sourced from PubChem (CID 22479904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).