2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine

C14H20N4O — CID 63984161

IUPAC2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCOc1cccc(Cn2nc(C)c(CCN)c2C)n1
InChIInChI=1S/C14H20N4O/c1-10-13(7-8-15)11(2)18(17-10)9-12-5-4-6-14(16-12)19-3/h4-6H,7-9,15H2,1-3H3
InChIKeyGDNPBZICVIEIDH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.45
Rot. Bonds5

About 2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine

2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine (PubChem CID 63984161) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
PubChem CID63984161
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCOc1cccc(Cn2nc(C)c(CCN)c2C)n1
InChIInChI=1S/C14H20N4O/c1-10-13(7-8-15)11(2)18(17-10)9-12-5-4-6-14(16-12)19-3/h4-6H,7-9,15H2,1-3H3
InChIKeyGDNPBZICVIEIDH-UHFFFAOYSA-N
XLogP1.45
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine (CID 63984161) is 2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine is COc1cccc(Cn2nc(C)c(CCN)c2C)n1.
What is the InChIKey of 2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is GDNPBZICVIEIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-13(7-8-15)11(2)18(17-10)9-12-5-4-6-14(16-12)19-3/h4-6H,7-9,15H2,1-3H3.
What are the key properties of 2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-methoxy-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 63984161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).