4-fluoro-2-propan-2-ylindazole-3-carbonitrile

C11H10FN3 — CID 84721558

IUPAC4-fluoro-2-propan-2-ylindazole-3-carbonitrile
SMILESCC(C)n1nc2cccc(F)c2c1C#N
InChIInChI=1S/C11H10FN3/c1-7(2)15-10(6-13)11-8(12)4-3-5-9(11)14-15/h3-5,7H,1-2H3
InChIKeyZLHSEEWZLVEDTF-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.63
Rot. Bonds1

About 4-fluoro-2-propan-2-ylindazole-3-carbonitrile

4-fluoro-2-propan-2-ylindazole-3-carbonitrile (PubChem CID 84721558) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is 4-fluoro-2-propan-2-ylindazole-3-carbonitrile.

Molecular Properties

Compound Name4-fluoro-2-propan-2-ylindazole-3-carbonitrile
PubChem CID84721558
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name4-fluoro-2-propan-2-ylindazole-3-carbonitrile
SMILESCC(C)n1nc2cccc(F)c2c1C#N
InChIInChI=1S/C11H10FN3/c1-7(2)15-10(6-13)11-8(12)4-3-5-9(11)14-15/h3-5,7H,1-2H3
InChIKeyZLHSEEWZLVEDTF-UHFFFAOYSA-N
XLogP2.63
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-propan-2-ylindazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propan-2-ylindazole-3-carbonitrile?
The IUPAC name of 4-fluoro-2-propan-2-ylindazole-3-carbonitrile (CID 84721558) is 4-fluoro-2-propan-2-ylindazole-3-carbonitrile.
What is the SMILES notation for 4-fluoro-2-propan-2-ylindazole-3-carbonitrile?
The canonical SMILES for 4-fluoro-2-propan-2-ylindazole-3-carbonitrile is CC(C)n1nc2cccc(F)c2c1C#N.
What is the InChIKey of 4-fluoro-2-propan-2-ylindazole-3-carbonitrile?
The InChIKey is ZLHSEEWZLVEDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3/c1-7(2)15-10(6-13)11-8(12)4-3-5-9(11)14-15/h3-5,7H,1-2H3.
What are the key properties of 4-fluoro-2-propan-2-ylindazole-3-carbonitrile?
4-fluoro-2-propan-2-ylindazole-3-carbonitrile has a molecular weight of 203.22 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propan-2-ylindazole-3-carbonitrile is sourced from PubChem (CID 84721558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).