1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

C15H22N4 — CID 102804167

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2cn(C)nc2C)nc1
InChIInChI=1S/C15H22N4/c1-5-12-6-7-13(17-9-12)8-15(16-3)14-10-19(4)18-11(14)2/h6-7,9-10,15-16H,5,8H2,1-4H3
InChIKeyFJZIBOQCMIYRRQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.19
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (PubChem CID 102804167) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
PubChem CID102804167
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2cn(C)nc2C)nc1
InChIInChI=1S/C15H22N4/c1-5-12-6-7-13(17-9-12)8-15(16-3)14-10-19(4)18-11(14)2/h6-7,9-10,15-16H,5,8H2,1-4H3
InChIKeyFJZIBOQCMIYRRQ-UHFFFAOYSA-N
XLogP2.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102812652
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine
CID 102803941
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79747878
1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine
CID 102804370
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 102803059
1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 107994454
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 79733087
1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79747809
1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 105014462
2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105168864

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (CID 102804167) is 1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is CCc1ccc(CC(NC)c2cn(C)nc2C)nc1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The InChIKey is FJZIBOQCMIYRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-12-6-7-13(17-9-12)8-15(16-3)14-10-19(4)18-11(14)2/h6-7,9-10,15-16H,5,8H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 102804167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).