1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine

C13H18N4 — CID 83127100

IUPAC1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine
SMILESCC(C)c1ccn(-c2ccc(C(C)N)nc2)n1
InChIInChI=1S/C13H18N4/c1-9(2)12-6-7-17(16-12)11-4-5-13(10(3)14)15-8-11/h4-10H,14H2,1-3H3
InChIKeyIUYHONMNHRRTBM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.41
Rot. Bonds3

About 1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine

1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine (PubChem CID 83127100) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine
PubChem CID83127100
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine
SMILESCC(C)c1ccn(-c2ccc(C(C)N)nc2)n1
InChIInChI=1S/C13H18N4/c1-9(2)12-6-7-17(16-12)11-4-5-13(10(3)14)15-8-11/h4-10H,14H2,1-3H3
InChIKeyIUYHONMNHRRTBM-UHFFFAOYSA-N
XLogP2.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine (CID 83127100) is 1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine is CC(C)c1ccn(-c2ccc(C(C)N)nc2)n1.
What is the InChIKey of 1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine?
The InChIKey is IUYHONMNHRRTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)12-6-7-17(16-12)11-4-5-13(10(3)14)15-8-11/h4-10H,14H2,1-3H3.
What are the key properties of 1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine?
1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).