7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole

C16H21FN2 — CID 174276031

IUPAC7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole
SMILESCCC1CCC(c2c(F)ccc3cnn(C)c23)CC1
InChIInChI=1S/C16H21FN2/c1-3-11-4-6-12(7-5-11)15-14(17)9-8-13-10-18-19(2)16(13)15/h8-12H,3-7H2,1-2H3
InChIKeySVLCGLKGUMTVMM-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.40
Rot. Bonds2

About 7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole

7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole (PubChem CID 174276031) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole.

Molecular Properties

Compound Name7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole
PubChem CID174276031
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole
SMILESCCC1CCC(c2c(F)ccc3cnn(C)c23)CC1
InChIInChI=1S/C16H21FN2/c1-3-11-4-6-12(7-5-11)15-14(17)9-8-13-10-18-19(2)16(13)15/h8-12H,3-7H2,1-2H3
InChIKeySVLCGLKGUMTVMM-UHFFFAOYSA-N
XLogP4.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole
CID 176552604
6-fluoro-1,7-dimethylindazole
CID 83381543
2-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluoro-4-(3,4,5-trifluorophenoxy)benzene
CID 173305887
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
7-cyclobutyl-1-methylindazole
CID 178166244
ethane;3-(4-ethylcyclohexyl)-2-fluoro-4-methoxypyridine
CID 177327862
1-(3,4-difluorophenyl)-4-(4-ethylcyclohexyl)cycloheptane
CID 130256431
5,6-difluoro-1-methylindazole
CID 159529872
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152
(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
CID 114885926
ethyl 2-(1,7-dimethylindazol-6-yl)-2-oxoacetate
CID 122534993

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole?
The IUPAC name of 7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole (CID 174276031) is 7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole.
What is the SMILES notation for 7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole?
The canonical SMILES for 7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole is CCC1CCC(c2c(F)ccc3cnn(C)c23)CC1.
What is the InChIKey of 7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole?
The InChIKey is SVLCGLKGUMTVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-3-11-4-6-12(7-5-11)15-14(17)9-8-13-10-18-19(2)16(13)15/h8-12H,3-7H2,1-2H3.
What are the key properties of 7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole?
7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole has a molecular weight of 260.36 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylcyclohexyl)-6-fluoro-1-methylindazole is sourced from PubChem (CID 174276031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).