3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine

C16H12N4O — CID 83203824

IUPAC3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ccccn2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C16H12N4O/c17-12-10-20(15-7-3-4-8-18-15)19-16(12)14-9-11-5-1-2-6-13(11)21-14/h1-10H,17H2
InChIKeyNPRRIZFFMQXICX-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.26
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine

3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine (PubChem CID 83203824) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine
PubChem CID83203824
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine
SMILESNc1cn(-c2ccccn2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C16H12N4O/c17-12-10-20(15-7-3-4-8-18-15)19-16(12)14-9-11-5-1-2-6-13(11)21-14/h1-10H,17H2
InChIKeyNPRRIZFFMQXICX-UHFFFAOYSA-N
XLogP3.26
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine (CID 83203824) is 3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine is Nc1cn(-c2ccccn2)nc1-c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine?
The InChIKey is NPRRIZFFMQXICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-12-10-20(15-7-3-4-8-18-15)19-16(12)14-9-11-5-1-2-6-13(11)21-14/h1-10H,17H2.
What are the key properties of 3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine?
3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine has a molecular weight of 276.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-1-pyridin-2-ylpyrazol-4-amine is sourced from PubChem (CID 83203824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).