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

C22H29FN2 — CID 139778851

IUPAC3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
SMILESCCCC1CCC(CCc2ccc(-c3ccc(C)c(F)c3)nn2)CC1
InChIInChI=1S/C22H29FN2/c1-3-4-17-6-8-18(9-7-17)10-12-20-13-14-22(25-24-20)19-11-5-16(2)21(23)15-19/h5,11,13-15,17-18H,3-4,6-10,12H2,1-2H3
InChIKeyBLDOJMHYLUTSJQ-UHFFFAOYSA-N
MW340.49 g/mol
LogP6.13
Rot. Bonds6

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

3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine (PubChem CID 139778851) has the molecular formula C22H29FN2 and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
PubChem CID139778851
Molecular FormulaC22H29FN2
Molecular Weight340.49 g/mol
Exact Mass340.23
IUPAC Name3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
SMILESCCCC1CCC(CCc2ccc(-c3ccc(C)c(F)c3)nn2)CC1
InChIInChI=1S/C22H29FN2/c1-3-4-17-6-8-18(9-7-17)10-12-20-13-14-22(25-24-20)19-11-5-16(2)21(23)15-19/h5,11,13-15,17-18H,3-4,6-10,12H2,1-2H3
InChIKeyBLDOJMHYLUTSJQ-UHFFFAOYSA-N
XLogP6.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 67787578
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-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139779136
3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778924
3-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139779042
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-heptylpyridazine
CID 139778666
3-[3-fluoro-4-[2-(4-hexylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 139778945
3-(4-hexoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139779161
3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778926
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine
CID 139778798
3-(2,3-difluoro-4-methylphenyl)-6-[2-(4-ethylcyclohexyl)ethyl]pyridazine
CID 139778923

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine (CID 139778851) is 3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine is CCCC1CCC(CCc2ccc(-c3ccc(C)c(F)c3)nn2)CC1.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine?
The InChIKey is BLDOJMHYLUTSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2/c1-3-4-17-6-8-18(9-7-17)10-12-20-13-14-22(25-24-20)19-11-5-16(2)21(23)15-19/h5,11,13-15,17-18H,3-4,6-10,12H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine?
3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine has a molecular weight of 340.49 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine is sourced from PubChem (CID 139778851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).