1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine

C11H14N4 — CID 82542206

IUPAC1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
SMILESCC(N)c1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C11H14N4/c1-8(12)9-3-10(5-13-4-9)11-6-14-15(2)7-11/h3-8H,12H2,1-2H3
InChIKeyVGAVMYBOWLNYGJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.50
Rot. Bonds2

About 1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine

1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine (PubChem CID 82542206) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
PubChem CID82542206
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
SMILESCC(N)c1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C11H14N4/c1-8(12)9-3-10(5-13-4-9)11-6-14-15(2)7-11/h3-8H,12H2,1-2H3
InChIKeyVGAVMYBOWLNYGJ-UHFFFAOYSA-N
XLogP1.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine (CID 82542206) is 1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine is CC(N)c1cncc(-c2cnn(C)c2)c1.
What is the InChIKey of 1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine?
The InChIKey is VGAVMYBOWLNYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8(12)9-3-10(5-13-4-9)11-6-14-15(2)7-11/h3-8H,12H2,1-2H3.
What are the key properties of 1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine?
1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 82542206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).