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

C11H13FN2 — CID 118489326

IUPAC5-fluoro-1-methyl-3-propan-2-ylindazole
SMILESCC(C)c1nn(C)c2ccc(F)cc12
InChIInChI=1S/C11H13FN2/c1-7(2)11-9-6-8(12)4-5-10(9)14(3)13-11/h4-7H,1-3H3
InChIKeyPQHRLLNAGMJVPX-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.84
Rot. Bonds1

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

5-fluoro-1-methyl-3-propan-2-ylindazole (PubChem CID 118489326) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-propan-2-ylindazole.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-propan-2-ylindazole
PubChem CID118489326
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name5-fluoro-1-methyl-3-propan-2-ylindazole
SMILESCC(C)c1nn(C)c2ccc(F)cc12
InChIInChI=1S/C11H13FN2/c1-7(2)11-9-6-8(12)4-5-10(9)14(3)13-11/h4-7H,1-3H3
InChIKeyPQHRLLNAGMJVPX-UHFFFAOYSA-N
XLogP2.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-fluoro-1-methyl-3,6-di(propan-2-yl)indazole
CID 170569644
(5-fluoro-1-methylindazol-3-yl)methanamine
CID 82600067
2-N-(5-fluoro-1-methylindazol-3-yl)propane-1,2-diamine
CID 83838712
5,6-dimethoxy-1-methyl-3-propan-2-ylindazole
CID 164758234
6-fluoro-1,3-dimethylindazole
CID 59514053
6-fluoro-1-methylindazol-3-amine
CID 15239650
5-fluoro-3-isocyanato-1-methylindazole
CID 83915484
5-fluoro-1-methyl-3-(methylsulfonylmethyl)indazole
CID 123278139
6-butan-2-yl-1-methyl-3-propan-2-ylindazole
CID 174350260
5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine
CID 162725875
4-fluoro-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)aniline
CID 66010551
6-bromo-3-(1-fluoroethyl)-1-methylindazole
CID 84708995

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-propan-2-ylindazole?
The IUPAC name of 5-fluoro-1-methyl-3-propan-2-ylindazole (CID 118489326) is 5-fluoro-1-methyl-3-propan-2-ylindazole.
What is the SMILES notation for 5-fluoro-1-methyl-3-propan-2-ylindazole?
The canonical SMILES for 5-fluoro-1-methyl-3-propan-2-ylindazole is CC(C)c1nn(C)c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-1-methyl-3-propan-2-ylindazole?
The InChIKey is PQHRLLNAGMJVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-7(2)11-9-6-8(12)4-5-10(9)14(3)13-11/h4-7H,1-3H3.
What are the key properties of 5-fluoro-1-methyl-3-propan-2-ylindazole?
5-fluoro-1-methyl-3-propan-2-ylindazole has a molecular weight of 192.24 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-propan-2-ylindazole is sourced from PubChem (CID 118489326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).