3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole

C15H20FN3 — CID 123502143

IUPAC3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole
SMILESCCc1nn(CCN2CCCC2)c2ccc(F)cc12
InChIInChI=1S/C15H20FN3/c1-2-14-13-11-12(16)5-6-15(13)19(17-14)10-9-18-7-3-4-8-18/h5-6,11H,2-4,7-10H2,1H3
InChIKeyNAXUWUXLYPKZFK-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.83
Rot. Bonds4

About 3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole

3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole (PubChem CID 123502143) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole.

Molecular Properties

Compound Name3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole
PubChem CID123502143
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole
SMILESCCc1nn(CCN2CCCC2)c2ccc(F)cc12
InChIInChI=1S/C15H20FN3/c1-2-14-13-11-12(16)5-6-15(13)19(17-14)10-9-18-7-3-4-8-18/h5-6,11H,2-4,7-10H2,1H3
InChIKeyNAXUWUXLYPKZFK-UHFFFAOYSA-N
XLogP2.83
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole?
The IUPAC name of 3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole (CID 123502143) is 3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole.
What is the SMILES notation for 3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole?
The canonical SMILES for 3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole is CCc1nn(CCN2CCCC2)c2ccc(F)cc12.
What is the InChIKey of 3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole?
The InChIKey is NAXUWUXLYPKZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-14-13-11-12(16)5-6-15(13)19(17-14)10-9-18-7-3-4-8-18/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole?
3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole has a molecular weight of 261.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole is sourced from PubChem (CID 123502143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).