1-ethyl-5-fluoro-3-propan-2-ylindazole

C12H15FN2 — CID 118489284

IUPAC1-ethyl-5-fluoro-3-propan-2-ylindazole
SMILESCCn1nc(C(C)C)c2cc(F)ccc21
InChIInChI=1S/C12H15FN2/c1-4-15-11-6-5-9(13)7-10(11)12(14-15)8(2)3/h5-8H,4H2,1-3H3
InChIKeyIKHJEGQGEOKVRZ-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.32
Rot. Bonds2

About 1-ethyl-5-fluoro-3-propan-2-ylindazole

1-ethyl-5-fluoro-3-propan-2-ylindazole (PubChem CID 118489284) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-3-propan-2-ylindazole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-3-propan-2-ylindazole
PubChem CID118489284
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name1-ethyl-5-fluoro-3-propan-2-ylindazole
SMILESCCn1nc(C(C)C)c2cc(F)ccc21
InChIInChI=1S/C12H15FN2/c1-4-15-11-6-5-9(13)7-10(11)12(14-15)8(2)3/h5-8H,4H2,1-3H3
InChIKeyIKHJEGQGEOKVRZ-UHFFFAOYSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-3-propan-2-ylindazole?
The IUPAC name of 1-ethyl-5-fluoro-3-propan-2-ylindazole (CID 118489284) is 1-ethyl-5-fluoro-3-propan-2-ylindazole.
What is the SMILES notation for 1-ethyl-5-fluoro-3-propan-2-ylindazole?
The canonical SMILES for 1-ethyl-5-fluoro-3-propan-2-ylindazole is CCn1nc(C(C)C)c2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-3-propan-2-ylindazole?
The InChIKey is IKHJEGQGEOKVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-4-15-11-6-5-9(13)7-10(11)12(14-15)8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 1-ethyl-5-fluoro-3-propan-2-ylindazole?
1-ethyl-5-fluoro-3-propan-2-ylindazole has a molecular weight of 206.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-3-propan-2-ylindazole is sourced from PubChem (CID 118489284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).