1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine

C17H20N4 — CID 105172398

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine
SMILESCCn1nc(C)cc1C(NC)c1ccc2ncccc2c1
InChIInChI=1S/C17H20N4/c1-4-21-16(10-12(2)20-21)17(18-3)14-7-8-15-13(11-14)6-5-9-19-15/h5-11,17-18H,4H2,1-3H3
InChIKeyBXVFXMNOWGIVJK-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.07
Rot. Bonds4

About 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine

1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine (PubChem CID 105172398) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine
PubChem CID105172398
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine
SMILESCCn1nc(C)cc1C(NC)c1ccc2ncccc2c1
InChIInChI=1S/C17H20N4/c1-4-21-16(10-12(2)20-21)17(18-3)14-7-8-15-13(11-14)6-5-9-19-15/h5-11,17-18H,4H2,1-3H3
InChIKeyBXVFXMNOWGIVJK-UHFFFAOYSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
1-(4-fluoro-3-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096854
N-methyl-1-(2-methylpyrimidin-4-yl)-1-quinolin-6-ylmethanamine
CID 115530668
1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021051
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63970196
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105164299
1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021072
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105020999
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096681
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021001
N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 63963933

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine (CID 105172398) is 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine is CCn1nc(C)cc1C(NC)c1ccc2ncccc2c1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine?
The InChIKey is BXVFXMNOWGIVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-4-21-16(10-12(2)20-21)17(18-3)14-7-8-15-13(11-14)6-5-9-19-15/h5-11,17-18H,4H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine?
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine has a molecular weight of 280.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine is sourced from PubChem (CID 105172398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).