2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline

C17H21N3O — CID 159173812

IUPAC2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline
SMILESc1cc(-c2ccc3c(n2)CCCC3)n(C2CCCCO2)n1
InChIInChI=1S/C17H21N3O/c1-2-6-14-13(5-1)8-9-15(19-14)16-10-11-18-20(16)17-7-3-4-12-21-17/h8-11,17H,1-7,12H2
InChIKeyUXEACNBFCCPZBQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.52
Rot. Bonds2

About 2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline

2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline (PubChem CID 159173812) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline
PubChem CID159173812
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline
SMILESc1cc(-c2ccc3c(n2)CCCC3)n(C2CCCCO2)n1
InChIInChI=1S/C17H21N3O/c1-2-6-14-13(5-1)8-9-15(19-14)16-10-11-18-20(16)17-7-3-4-12-21-17/h8-11,17H,1-7,12H2
InChIKeyUXEACNBFCCPZBQ-UHFFFAOYSA-N
XLogP3.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-{1-[2-(1-piperidinyl)ethyl]-1H-pyrazol-3-yl}phenyl)pyridine
CID 31223595
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954055
3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954061
N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46961967
2-ethyl-7-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 118741207
5-[1-Cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine
CID 155548619
4-[[1-Cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine
CID 155549793
5-(4-Fluorophenyl)-1-(oxan-2-yl)pyrazole
CID 101867279
3-(4-Fluorophenyl)-1-(oxan-2-yl)pyrazole
CID 101867280
4-Methyl-2-[3-(1-methyl-1H-pyrazol-4-yl)-phenyl]-5-[1-(tetrahydro-pyran-4-yl)-1H-pyrazol-4-yl]-pyridine
CID 121347855
4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine
CID 154713307
(E)-6-iodo-3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 16726367

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline (CID 159173812) is 2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline is c1cc(-c2ccc3c(n2)CCCC3)n(C2CCCCO2)n1.
What is the InChIKey of 2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline?
The InChIKey is UXEACNBFCCPZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-6-14-13(5-1)8-9-15(19-14)16-10-11-18-20(16)17-7-3-4-12-21-17/h8-11,17H,1-7,12H2.
What are the key properties of 2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline?
2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline has a molecular weight of 283.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 159173812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).