(1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine

C13H18N4O — CID 83123786

IUPAC(1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine
SMILESCc1nn(C)c(C)c1Oc1ccc([C@@H](C)N)nc1
InChIInChI=1S/C13H18N4O/c1-8(14)12-6-5-11(7-15-12)18-13-9(2)16-17(4)10(13)3/h5-8H,14H2,1-4H3/t8-/m1/s1
InChIKeyVPVWFQRAGJYGMF-MRVPVSSYSA-N
MW246.31 g/mol
LogP2.24
Rot. Bonds3

About (1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine

(1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine (PubChem CID 83123786) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine
PubChem CID83123786
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine
SMILESCc1nn(C)c(C)c1Oc1ccc([C@@H](C)N)nc1
InChIInChI=1S/C13H18N4O/c1-8(14)12-6-5-11(7-15-12)18-13-9(2)16-17(4)10(13)3/h5-8H,14H2,1-4H3/t8-/m1/s1
InChIKeyVPVWFQRAGJYGMF-MRVPVSSYSA-N
XLogP2.24
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine (CID 83123786) is (1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine is Cc1nn(C)c(C)c1Oc1ccc([C@@H](C)N)nc1.
What is the InChIKey of (1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine?
The InChIKey is VPVWFQRAGJYGMF-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(14)12-6-5-11(7-15-12)18-13-9(2)16-17(4)10(13)3/h5-8H,14H2,1-4H3/t8-/m1/s1.
What are the key properties of (1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine?
(1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).