N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine

C17H20N4 — CID 114755312

IUPACN-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c2ccccc2n1)c1ccnn1C
InChIInChI=1S/C17H20N4/c1-4-18-17(16-9-10-19-21(16)3)15-11-12(2)13-7-5-6-8-14(13)20-15/h5-11,17-18H,4H2,1-3H3
InChIKeyHNQLJSGQHXFBPC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.98
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine

N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine (PubChem CID 114755312) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine
PubChem CID114755312
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC NameN-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c2ccccc2n1)c1ccnn1C
InChIInChI=1S/C17H20N4/c1-4-18-17(16-9-10-19-21(16)3)15-11-12(2)13-7-5-6-8-14(13)20-15/h5-11,17-18H,4H2,1-3H3
InChIKeyHNQLJSGQHXFBPC-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine
CID 114755178
N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 114755291
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257
N-[(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107503811
N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105148600
(2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol
CID 114754847
N-[(2,4-difluoro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858665
N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858831
N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858472
N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106692062
N-[(5-fluoro-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63960984
N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 63963933

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine (CID 114755312) is N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine is CCNC(c1cc(C)c2ccccc2n1)c1ccnn1C.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine?
The InChIKey is HNQLJSGQHXFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-4-18-17(16-9-10-19-21(16)3)15-11-12(2)13-7-5-6-8-14(13)20-15/h5-11,17-18H,4H2,1-3H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine?
N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine is sourced from PubChem (CID 114755312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).