ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate

C14H12FN3O2 — CID 59058900

IUPACethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)c3cc[nH]c23)n[nH]1
InChIInChI=1S/C14H12FN3O2/c1-2-20-14(19)12-7-11(17-18-12)9-3-4-10(15)8-5-6-16-13(8)9/h3-7,16H,2H2,1H3,(H,17,18)
InChIKeyHXFGZZIVDBWKOY-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.87
Rot. Bonds3

About ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate

ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate (PubChem CID 59058900) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate
PubChem CID59058900
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Nameethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)c3cc[nH]c23)n[nH]1
InChIInChI=1S/C14H12FN3O2/c1-2-20-14(19)12-7-11(17-18-12)9-3-4-10(15)8-5-6-16-13(8)9/h3-7,16H,2H2,1H3,(H,17,18)
InChIKeyHXFGZZIVDBWKOY-UHFFFAOYSA-N
XLogP2.87
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate (CID 59058900) is ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(F)c3cc[nH]c23)n[nH]1.
What is the InChIKey of ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is HXFGZZIVDBWKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-2-20-14(19)12-7-11(17-18-12)9-3-4-10(15)8-5-6-16-13(8)9/h3-7,16H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate?
ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 273.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluoro-1H-indol-7-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 59058900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).