1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole

C15H19FN2O2 — CID 123944453

IUPAC1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole
SMILESCCc1nn(CC2COC(C)(C)O2)c2ccc(F)cc12
InChIInChI=1S/C15H19FN2O2/c1-4-13-12-7-10(16)5-6-14(12)18(17-13)8-11-9-19-15(2,3)20-11/h5-7,11H,4,8-9H2,1-3H3
InChIKeyGVSYWRVNHHKGLM-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.89
Rot. Bonds3

About 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole

1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole (PubChem CID 123944453) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole.

Molecular Properties

Compound Name1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole
PubChem CID123944453
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole
SMILESCCc1nn(CC2COC(C)(C)O2)c2ccc(F)cc12
InChIInChI=1S/C15H19FN2O2/c1-4-13-12-7-10(16)5-6-14(12)18(17-13)8-11-9-19-15(2,3)20-11/h5-7,11H,4,8-9H2,1-3H3
InChIKeyGVSYWRVNHHKGLM-UHFFFAOYSA-N
XLogP2.89
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(3-(3-fluorophenyl)-1H-indazol-1-yl)acetate
CID 49835858
Methyl 2-[3-(2-fluorophenyl)indazol-1-yl]acetate
CID 73505836
Methyl 2-(6-fluoro-3-phenylindazol-1-yl)acetate
CID 49835815
Methyl 2-[3-(4-fluorophenyl)indazol-1-yl]acetate
CID 49835876
Methyl 2-(5-fluoro-3-phenyl-1H-indazol-1-yl)acetate
CID 49835889
((3aR,4R,6R,6aR)-6-(6-fluoro-1H-indazol-1-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl acetate
CID 176521852
(3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine
CID 124573663
8-{4-[2-(2,4,6-trifluorobenzyl)-7-(trifluoromethyl)-2H-indazol-3-yl]phenyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 11663947
1-(2-hydroxyprop-1-yl)-4-(6-fluoro-1-methyl-1H-indazol-3-yl)piperidine
CID 18998794
3-(4-Fluorophenyl)-1-(1-methoxyethoxymethyl)indazole
CID 22480028
6-Ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole
CID 59494208
3-Ethyl-5-fluoro-1-(3-methoxypropyl)indazole
CID 59494345

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole?
The IUPAC name of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole (CID 123944453) is 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole.
What is the SMILES notation for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole?
The canonical SMILES for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole is CCc1nn(CC2COC(C)(C)O2)c2ccc(F)cc12.
What is the InChIKey of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole?
The InChIKey is GVSYWRVNHHKGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-13-12-7-10(16)5-6-14(12)18(17-13)8-11-9-19-15(2,3)20-11/h5-7,11H,4,8-9H2,1-3H3.
What are the key properties of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole?
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole has a molecular weight of 278.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethyl-5-fluoroindazole is sourced from PubChem (CID 123944453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).