3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine

C24H33FN2 — CID 67787578

IUPAC3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
SMILESCCCc1ccc(-c2ccc(CCC3CCC(CCC)CC3)c(F)c2)nn1
InChIInChI=1S/C24H33FN2/c1-3-5-18-7-9-19(10-8-18)11-12-20-13-14-21(17-23(20)25)24-16-15-22(6-4-2)26-27-24/h13-19H,3-12H2,1-2H3
InChIKeyPQLQJDVXDSIIFV-UHFFFAOYSA-N
MW368.54 g/mol
LogP6.77
Rot. Bonds8

About 3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine

3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine (PubChem CID 67787578) has the molecular formula C24H33FN2 and a molecular weight of 368.54 g/mol. Its IUPAC name is 3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine.

Molecular Properties

Compound Name3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
PubChem CID67787578
Molecular FormulaC24H33FN2
Molecular Weight368.54 g/mol
Exact Mass368.26
IUPAC Name3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
SMILESCCCc1ccc(-c2ccc(CCC3CCC(CCC)CC3)c(F)c2)nn1
InChIInChI=1S/C24H33FN2/c1-3-5-18-7-9-19(10-8-18)11-12-20-13-14-21(17-23(20)25)24-16-15-22(6-4-2)26-27-24/h13-19H,3-12H2,1-2H3
InChIKeyPQLQJDVXDSIIFV-UHFFFAOYSA-N
XLogP6.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.54
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-fluoro-4-[2-(4-hexylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 139778945
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-heptylpyridazine
CID 139778666
3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139779136
3-[2-(4-butylcyclohexyl)ethyl]-6-(3-fluoro-4-pentylphenyl)pyridazine
CID 139778699
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine
CID 139779119
3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778851
3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
CID 139778818
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-hexoxypyridazine
CID 139778571
3-[4-[2-(4-ethylcyclohexyl)ethyl]-3-fluorophenyl]-6-pentoxypyridazine
CID 67787145
3-[4-[2-(4-butylcyclohexyl)ethyl]-3-fluorophenyl]-6-heptoxypyridazine
CID 139778675
3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778924
3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139779042

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine?
The IUPAC name of 3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine (CID 67787578) is 3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine.
What is the SMILES notation for 3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine?
The canonical SMILES for 3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine is CCCc1ccc(-c2ccc(CCC3CCC(CCC)CC3)c(F)c2)nn1.
What is the InChIKey of 3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine?
The InChIKey is PQLQJDVXDSIIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2/c1-3-5-18-7-9-19(10-8-18)11-12-20-13-14-21(17-23(20)25)24-16-15-22(6-4-2)26-27-24/h13-19H,3-12H2,1-2H3.
What are the key properties of 3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine?
3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine has a molecular weight of 368.54 g/mol, XLogP of 6.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine is sourced from PubChem (CID 67787578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).