2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline

C21H24F3N7 — CID 118589217

IUPAC2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
SMILESCn1nccc1-c1c2c(nc(C3CCCCC3)c1-c1nn[nH]n1)CCC(C(F)(F)F)C2
InChIInChI=1S/C21H24F3N7/c1-31-16(9-10-25-31)17-14-11-13(21(22,23)24)7-8-15(14)26-19(12-5-3-2-4-6-12)18(17)20-27-29-30-28-20/h9-10,12-13H,2-8,11H2,1H3,(H,27,28,29,30)
InChIKeyLRPBZWZQMWCGGJ-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.38
Rot. Bonds3

About 2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline

2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 118589217) has the molecular formula C21H24F3N7 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
PubChem CID118589217
Molecular FormulaC21H24F3N7
Molecular Weight431.47 g/mol
Exact Mass431.20
IUPAC Name2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
SMILESCn1nccc1-c1c2c(nc(C3CCCCC3)c1-c1nn[nH]n1)CCC(C(F)(F)F)C2
InChIInChI=1S/C21H24F3N7/c1-31-16(9-10-25-31)17-14-11-13(21(22,23)24)7-8-15(14)26-19(12-5-3-2-4-6-12)18(17)20-27-29-30-28-20/h9-10,12-13H,2-8,11H2,1H3,(H,27,28,29,30)
InChIKeyLRPBZWZQMWCGGJ-UHFFFAOYSA-N
XLogP4.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 118589228
4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73296264
N,N-diethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-amine
CID 90042931
2-cyclopentyl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90042446
2-cyclopentyl-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73294924
N,N-diethyl-4-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 73295944
6,6-difluoro-2-(2-methyloxolan-2-yl)-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589186
4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine
CID 90042917
2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589193
2-[1-(methoxymethyl)cyclopentyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589153
5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
CID 114554404
4-(5-chlorothiophen-2-yl)-3-(2H-tetrazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73296556

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline (CID 118589217) is 2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline is Cn1nccc1-c1c2c(nc(C3CCCCC3)c1-c1nn[nH]n1)CCC(C(F)(F)F)C2.
What is the InChIKey of 2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is LRPBZWZQMWCGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7/c1-31-16(9-10-25-31)17-14-11-13(21(22,23)24)7-8-15(14)26-19(12-5-3-2-4-6-12)18(17)20-27-29-30-28-20/h9-10,12-13H,2-8,11H2,1H3,(H,27,28,29,30).
What are the key properties of 2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline?
2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 431.47 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 118589217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).