1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine

C16H22N4 — CID 124890544

IUPAC1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCN1C[C@@H](CNCc2ccnn2C)Cc2ccccc21
InChIInChI=1S/C16H22N4/c1-19-12-13(9-14-5-3-4-6-16(14)19)10-17-11-15-7-8-18-20(15)2/h3-8,13,17H,9-12H2,1-2H3/t13-/m1/s1
InChIKeyWFDOBDMUFSUYRW-CYBMUJFWSA-N
MW270.38 g/mol
LogP1.82
Rot. Bonds4

About 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine

1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 124890544) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
PubChem CID124890544
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCN1C[C@@H](CNCc2ccnn2C)Cc2ccccc21
InChIInChI=1S/C16H22N4/c1-19-12-13(9-14-5-3-4-6-16(14)19)10-17-11-15-7-8-18-20(15)2/h3-8,13,17H,9-12H2,1-2H3/t13-/m1/s1
InChIKeyWFDOBDMUFSUYRW-CYBMUJFWSA-N
XLogP1.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-3-yl)aniline
CID 9816515
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methylpyrazol-3-yl)aniline
CID 9837963
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethylpyrazol-3-yl)aniline
CID 9838294
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline
CID 10221066
1-Benzyl-4-(5-phenyl-pyrazol-1-yl)-piperidine
CID 21219154
N-(1-Imidazoline-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-yl]aniline
CID 22493344
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline
CID 22493381
1-(3-phenyl-1H-pyrazol-4-yl)piperazine
CID 59511191
1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209962
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 124890544) is 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine is CN1C[C@@H](CNCc2ccnn2C)Cc2ccccc21.
What is the InChIKey of 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is WFDOBDMUFSUYRW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-12-13(9-14-5-3-4-6-16(14)19)10-17-11-15-7-8-18-20(15)2/h3-8,13,17H,9-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 124890544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).