1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine

C17H20N4 — CID 114755178

IUPAC1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine
SMILESCCn1nccc1C(NC)c1cc(C)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-4-21-16(9-10-19-21)17(18-3)15-11-12(2)13-7-5-6-8-14(13)20-15/h5-11,17-18H,4H2,1-3H3
InChIKeySSXFYLADNFSYQC-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.07
Rot. Bonds4

About 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine

1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine (PubChem CID 114755178) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine
PubChem CID114755178
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine
SMILESCCn1nccc1C(NC)c1cc(C)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-4-21-16(9-10-19-21)17(18-3)15-11-12(2)13-7-5-6-8-14(13)20-15/h5-11,17-18H,4H2,1-3H3
InChIKeySSXFYLADNFSYQC-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 ≤ 500280.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethylpyrazol-3-yl)-(4-methylquinolin-2-yl)methanol
CID 114754847
N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine
CID 114755312
N-methyl-1-(4-methyl-3-pyridinyl)-1-(4-methylquinolin-2-yl)methanamine
CID 114755243
1-(2-chloro-3-methylphenyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857986
1-(2-ethylpyrazol-3-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115858049
1-(2-ethylpyrazol-3-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148286
1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81276228
1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 63977212
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115858110
1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 105148320
N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine (CID 114755178) is 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine is CCn1nccc1C(NC)c1cc(C)c2ccccc2n1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine?
The InChIKey is SSXFYLADNFSYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-4-21-16(9-10-19-21)17(18-3)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 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine?
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine has a molecular weight of 280.37 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-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine is sourced from PubChem (CID 114755178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).