2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine

C16H21BrN4 — CID 114663413

IUPAC2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Br)c1C1CCc2ccccc2N1
InChIInChI=1S/C16H21BrN4/c1-20(2)9-10-21-16(13(17)11-18-21)15-8-7-12-5-3-4-6-14(12)19-15/h3-6,11,15,19H,7-10H2,1-2H3
InChIKeyNFGVGJFAURWSAW-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114663413) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114663413
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Br)c1C1CCc2ccccc2N1
InChIInChI=1S/C16H21BrN4/c1-20(2)9-10-21-16(13(17)11-18-21)15-8-7-12-5-3-4-6-14(12)19-15/h3-6,11,15,19H,7-10H2,1-2H3
InChIKeyNFGVGJFAURWSAW-UHFFFAOYSA-N
XLogP3.31
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114663397
2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114663394
2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 114662297
(2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 95241931
2-[5-[2-(aminomethyl)cyclohexyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114666566
2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662301
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethylcycloheptan-1-amine
CID 114664233
2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662296
2-[4-bromo-5-[fluoro(piperidin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114667798
2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105208582
2-pyridin-2-yl-1,2,3,4-tetrahydroquinoline
CID 90409822
2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine
CID 170946236

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine (CID 114663413) is 2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Br)c1C1CCc2ccccc2N1.
What is the InChIKey of 2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is NFGVGJFAURWSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-20(2)9-10-21-16(13(17)11-18-21)15-8-7-12-5-3-4-6-14(12)19-15/h3-6,11,15,19H,7-10H2,1-2H3.
What are the key properties of 2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 349.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114663413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).