5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole

C14H19FN2 — CID 176932144

IUPAC5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole
SMILESCc1nn(C(C)C)c2ccc(F)c(C(C)C)c12
InChIInChI=1S/C14H19FN2/c1-8(2)13-11(15)6-7-12-14(13)10(5)16-17(12)9(3)4/h6-9H,1-5H3
InChIKeyJAWVVBVKGNIAMW-UHFFFAOYSA-N
MW234.32 g/mol
LogP4.19
Rot. Bonds2

About 5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole

5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole (PubChem CID 176932144) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole.

Molecular Properties

Compound Name5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole
PubChem CID176932144
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole
SMILESCc1nn(C(C)C)c2ccc(F)c(C(C)C)c12
InChIInChI=1S/C14H19FN2/c1-8(2)13-11(15)6-7-12-14(13)10(5)16-17(12)9(3)4/h6-9H,1-5H3
InChIKeyJAWVVBVKGNIAMW-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole?
The IUPAC name of 5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole (CID 176932144) is 5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole.
What is the SMILES notation for 5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole?
The canonical SMILES for 5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole is Cc1nn(C(C)C)c2ccc(F)c(C(C)C)c12.
What is the InChIKey of 5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole?
The InChIKey is JAWVVBVKGNIAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-8(2)13-11(15)6-7-12-14(13)10(5)16-17(12)9(3)4/h6-9H,1-5H3.
What are the key properties of 5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole?
5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole has a molecular weight of 234.32 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole is sourced from PubChem (CID 176932144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).