6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole

C17H23FN2 — CID 176552604

IUPAC6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole
SMILESCC(C)C1CCC(c2c(F)ccc3cnn(C)c23)CC1
InChIInChI=1S/C17H23FN2/c1-11(2)12-4-6-13(7-5-12)16-15(18)9-8-14-10-19-20(3)17(14)16/h8-13H,4-7H2,1-3H3
InChIKeyHIJAXMPUFBHVCM-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.64
Rot. Bonds2

About 6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole

6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole (PubChem CID 176552604) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole.

Molecular Properties

Compound Name6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole
PubChem CID176552604
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole
SMILESCC(C)C1CCC(c2c(F)ccc3cnn(C)c23)CC1
InChIInChI=1S/C17H23FN2/c1-11(2)12-4-6-13(7-5-12)16-15(18)9-8-14-10-19-20(3)17(14)16/h8-13H,4-7H2,1-3H3
InChIKeyHIJAXMPUFBHVCM-UHFFFAOYSA-N
XLogP4.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole?
The IUPAC name of 6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole (CID 176552604) is 6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole.
What is the SMILES notation for 6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole?
The canonical SMILES for 6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole is CC(C)C1CCC(c2c(F)ccc3cnn(C)c23)CC1.
What is the InChIKey of 6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole?
The InChIKey is HIJAXMPUFBHVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c1-11(2)12-4-6-13(7-5-12)16-15(18)9-8-14-10-19-20(3)17(14)16/h8-13H,4-7H2,1-3H3.
What are the key properties of 6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole?
6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole has a molecular weight of 274.38 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole is sourced from PubChem (CID 176552604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).