2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine

C17H26N4 — CID 107503581

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
SMILESCCC(C)n1ccc(CC(NC)c2cc(C)nc(C)c2)n1
InChIInChI=1S/C17H26N4/c1-6-14(4)21-8-7-16(20-21)11-17(18-5)15-9-12(2)19-13(3)10-15/h7-10,14,17-18H,6,11H2,1-5H3
InChIKeyVFJYDVDUMNMWFN-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.37
Rot. Bonds6

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine

2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine (PubChem CID 107503581) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
PubChem CID107503581
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
SMILESCCC(C)n1ccc(CC(NC)c2cc(C)nc(C)c2)n1
InChIInChI=1S/C17H26N4/c1-6-14(4)21-8-7-16(20-21)11-17(18-5)15-9-12(2)19-13(3)10-15/h7-10,14,17-18H,6,11H2,1-5H3
InChIKeyVFJYDVDUMNMWFN-UHFFFAOYSA-N
XLogP3.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine 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-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105154726
1-(3-bromo-5-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 66425234
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 64785858
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-iodophenyl)-N-methylethanamine
CID 104989834
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105154754
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107503911
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 104989612
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 104804919
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 104989847
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 64777624
1-(2-bromo-4-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 107993553

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine (CID 107503581) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine is CCC(C)n1ccc(CC(NC)c2cc(C)nc(C)c2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine?
The InChIKey is VFJYDVDUMNMWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-6-14(4)21-8-7-16(20-21)11-17(18-5)15-9-12(2)19-13(3)10-15/h7-10,14,17-18H,6,11H2,1-5H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 107503581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).