4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile

C24H30FN3 — CID 70496974

IUPAC4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile
SMILESCCCCC(F)C1CCC(CCc2ccc(-c3ccc(C#N)cc3)nn2)CC1
InChIInChI=1S/C24H30FN3/c1-2-3-4-23(25)20-10-5-18(6-11-20)9-14-22-15-16-24(28-27-22)21-12-7-19(17-26)8-13-21/h7-8,12-13,15-16,18,20,23H,2-6,9-11,14H2,1H3
InChIKeyHYZJECIIZPPYHZ-UHFFFAOYSA-N
MW379.52 g/mol
LogP6.28
Rot. Bonds8

About 4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile

4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile (PubChem CID 70496974) has the molecular formula C24H30FN3 and a molecular weight of 379.52 g/mol. Its IUPAC name is 4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile
PubChem CID70496974
Molecular FormulaC24H30FN3
Molecular Weight379.52 g/mol
Exact Mass379.24
IUPAC Name4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile
SMILESCCCCC(F)C1CCC(CCc2ccc(-c3ccc(C#N)cc3)nn2)CC1
InChIInChI=1S/C24H30FN3/c1-2-3-4-23(25)20-10-5-18(6-11-20)9-14-22-15-16-24(28-27-22)21-12-7-19(17-26)8-13-21/h7-8,12-13,15-16,18,20,23H,2-6,9-11,14H2,1H3
InChIKeyHYZJECIIZPPYHZ-UHFFFAOYSA-N
XLogP6.28
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.52
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778924
3-[2-(4-pentylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778915
3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778801
3-[2-(4-butylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778747
3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778718
3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778999
3-(4-hexoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139779161
3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778646
3-[2-(4-ethylcyclohexyl)ethyl]-6-(4-heptoxyphenyl)pyridazine
CID 139778846
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
CID 139778532
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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile (CID 70496974) is 4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile is CCCCC(F)C1CCC(CCc2ccc(-c3ccc(C#N)cc3)nn2)CC1.
What is the InChIKey of 4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile?
The InChIKey is HYZJECIIZPPYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3/c1-2-3-4-23(25)20-10-5-18(6-11-20)9-14-22-15-16-24(28-27-22)21-12-7-19(17-26)8-13-21/h7-8,12-13,15-16,18,20,23H,2-6,9-11,14H2,1H3.
What are the key properties of 4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile?
4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile has a molecular weight of 379.52 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-[4-(1-fluoropentyl)cyclohexyl]ethyl]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 70496974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).