3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine

C24H33FN2O — CID 139778926

IUPAC3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
SMILESCCCOc1ccc(-c2ccc(CCC3CCC(CCC)CC3)nn2)c(F)c1
InChIInChI=1S/C24H33FN2O/c1-3-5-18-6-8-19(9-7-18)10-11-20-12-15-24(27-26-20)22-14-13-21(17-23(22)25)28-16-4-2/h12-15,17-19H,3-11,16H2,1-2H3
InChIKeyUDFPGBFHUMJQQM-UHFFFAOYSA-N
MW384.54 g/mol
LogP6.61
Rot. Bonds9

About 3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine

3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine (PubChem CID 139778926) has the molecular formula C24H33FN2O and a molecular weight of 384.54 g/mol. Its IUPAC name is 3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine.

Molecular Properties

Compound Name3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
PubChem CID139778926
Molecular FormulaC24H33FN2O
Molecular Weight384.54 g/mol
Exact Mass384.26
IUPAC Name3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
SMILESCCCOc1ccc(-c2ccc(CCC3CCC(CCC)CC3)nn2)c(F)c1
InChIInChI=1S/C24H33FN2O/c1-3-5-18-6-8-19(9-7-18)10-11-20-12-15-24(27-26-20)22-14-13-21(17-23(22)25)28-16-4-2/h12-15,17-19H,3-11,16H2,1-2H3
InChIKeyUDFPGBFHUMJQQM-UHFFFAOYSA-N
XLogP6.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-butoxy-2-fluorophenyl)-6-[2-(4-pentylcyclohexyl)ethyl]pyridazine
CID 139779121
3-(2-fluoro-4-pentoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778897
3-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-hexylpyridazine
CID 139778933
3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778924
3-(4-ethyl-2-fluorophenyl)-6-[2-(4-hexylcyclohexyl)ethyl]pyridazine
CID 139778979
3-(4-ethyl-2-fluorophenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778517
3-[2-(4-ethylcyclohexyl)ethyl]-6-(2-fluoro-4-heptylphenyl)pyridazine
CID 139778757
3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778851
3-(4-hexoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139779161
3-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-6-pentylpyridazine
CID 67787858
3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139779042
3-(4-butoxy-2,3-difluorophenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778925

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine?
The IUPAC name of 3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine (CID 139778926) is 3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine.
What is the SMILES notation for 3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine?
The canonical SMILES for 3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine is CCCOc1ccc(-c2ccc(CCC3CCC(CCC)CC3)nn2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine?
The InChIKey is UDFPGBFHUMJQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O/c1-3-5-18-6-8-19(9-7-18)10-11-20-12-15-24(27-26-20)22-14-13-21(17-23(22)25)28-16-4-2/h12-15,17-19H,3-11,16H2,1-2H3.
What are the key properties of 3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine?
3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine has a molecular weight of 384.54 g/mol, XLogP of 6.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine is sourced from PubChem (CID 139778926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).