2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline

C16H20BrN3O — CID 114662297

IUPAC2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESCOCCn1ncc(Br)c1CC1CCc2ccccc2N1
InChIInChI=1S/C16H20BrN3O/c1-21-9-8-20-16(14(17)11-18-20)10-13-7-6-12-4-2-3-5-15(12)19-13/h2-5,11,13,19H,6-10H2,1H3
InChIKeyPLQOJZOKVPGKNV-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.26
Rot. Bonds5

About 2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline

2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 114662297) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID114662297
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESCOCCn1ncc(Br)c1CC1CCc2ccccc2N1
InChIInChI=1S/C16H20BrN3O/c1-21-9-8-20-16(14(17)11-18-20)10-13-7-6-12-4-2-3-5-15(12)19-13/h2-5,11,13,19H,6-10H2,1H3
InChIKeyPLQOJZOKVPGKNV-UHFFFAOYSA-N
XLogP3.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662301
2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662296
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-1-yl)methanone
CID 114640839
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 114640827
2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114663413
(3S)-3-[4-(2-methoxyethyl)piperazin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 124726082
2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955897
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114662410
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 114645306
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine
CID 114663770
N-[3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropyl]cyclopropanamine
CID 114664518
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-indol-7-yl)methanol
CID 114638223

Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline (CID 114662297) is 2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline is COCCn1ncc(Br)c1CC1CCc2ccccc2N1.
What is the InChIKey of 2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is PLQOJZOKVPGKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-21-9-8-20-16(14(17)11-18-20)10-13-7-6-12-4-2-3-5-15(12)19-13/h2-5,11,13,19H,6-10H2,1H3.
What are the key properties of 2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline?
2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 350.26 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114662297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).