2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine

C16H18N4 — CID 82071795

IUPAC2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine
SMILESNCCC1=NN(c2ccccn2)C(c2ccccc2)C1
InChIInChI=1S/C16H18N4/c17-10-9-14-12-15(13-6-2-1-3-7-13)20(19-14)16-8-4-5-11-18-16/h1-8,11,15H,9-10,12,17H2
InChIKeyZUMQUAMHDACVPX-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.74
Rot. Bonds4

About 2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine

2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine (PubChem CID 82071795) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine
PubChem CID82071795
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine
SMILESNCCC1=NN(c2ccccn2)C(c2ccccc2)C1
InChIInChI=1S/C16H18N4/c17-10-9-14-12-15(13-6-2-1-3-7-13)20(19-14)16-8-4-5-11-18-16/h1-8,11,15H,9-10,12,17H2
InChIKeyZUMQUAMHDACVPX-UHFFFAOYSA-N
XLogP2.74
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine?
The IUPAC name of 2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine (CID 82071795) is 2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine is NCCC1=NN(c2ccccn2)C(c2ccccc2)C1.
What is the InChIKey of 2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine?
The InChIKey is ZUMQUAMHDACVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c17-10-9-14-12-15(13-6-2-1-3-7-13)20(19-14)16-8-4-5-11-18-16/h1-8,11,15H,9-10,12,17H2.
What are the key properties of 2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine?
2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine is sourced from PubChem (CID 82071795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).