2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine

C16H16N4 — CID 62772186

IUPAC2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine
SMILESNCC(c1ccccn1)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H16N4/c17-10-16(15-8-4-5-9-18-15)20-12-14(11-19-20)13-6-2-1-3-7-13/h1-9,11-12,16H,10,17H2
InChIKeyIUGXPFOZSADKOH-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.49
Rot. Bonds4

About 2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine

2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine (PubChem CID 62772186) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine
PubChem CID62772186
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine
SMILESNCC(c1ccccn1)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H16N4/c17-10-16(15-8-4-5-9-18-15)20-12-14(11-19-20)13-6-2-1-3-7-13/h1-9,11-12,16H,10,17H2
InChIKeyIUGXPFOZSADKOH-UHFFFAOYSA-N
XLogP2.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine?
The IUPAC name of 2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine (CID 62772186) is 2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine is NCC(c1ccccn1)n1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine?
The InChIKey is IUGXPFOZSADKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-10-16(15-8-4-5-9-18-15)20-12-14(11-19-20)13-6-2-1-3-7-13/h1-9,11-12,16H,10,17H2.
What are the key properties of 2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine?
2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine has a molecular weight of 264.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 62772186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).