6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole

C14H19FN2O — CID 59494208

IUPAC6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole
SMILESCCc1cc(F)c2c(C)nn(CCCOC)c2c1
InChIInChI=1S/C14H19FN2O/c1-4-11-8-12(15)14-10(2)16-17(13(14)9-11)6-5-7-18-3/h8-9H,4-7H2,1-3H3
InChIKeyDHNOHLUPGBVRNC-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.08
Rot. Bonds5

About 6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole

6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole (PubChem CID 59494208) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole.

Molecular Properties

Compound Name6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole
PubChem CID59494208
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole
SMILESCCc1cc(F)c2c(C)nn(CCCOC)c2c1
InChIInChI=1S/C14H19FN2O/c1-4-11-8-12(15)14-10(2)16-17(13(14)9-11)6-5-7-18-3/h8-9H,4-7H2,1-3H3
InChIKeyDHNOHLUPGBVRNC-UHFFFAOYSA-N
XLogP3.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole?
The IUPAC name of 6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole (CID 59494208) is 6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole.
What is the SMILES notation for 6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole?
The canonical SMILES for 6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole is CCc1cc(F)c2c(C)nn(CCCOC)c2c1.
What is the InChIKey of 6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole?
The InChIKey is DHNOHLUPGBVRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-4-11-8-12(15)14-10(2)16-17(13(14)9-11)6-5-7-18-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole?
6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole has a molecular weight of 250.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-fluoro-1-(3-methoxypropyl)-3-methylindazole is sourced from PubChem (CID 59494208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).