5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine

C16H12N4O — CID 80521671

IUPAC5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc3ccccc3o2)c1-c1cccnc1
InChIInChI=1S/C16H12N4O/c17-16-14(11-5-3-7-18-9-11)15(19-20-16)13-8-10-4-1-2-6-12(10)21-13/h1-9H,(H3,17,19,20)
InChIKeyJHCJMWBOQIJSSJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.47
Rot. Bonds2

About 5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine

5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine (PubChem CID 80521671) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine
PubChem CID80521671
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc3ccccc3o2)c1-c1cccnc1
InChIInChI=1S/C16H12N4O/c17-16-14(11-5-3-7-18-9-11)15(19-20-16)13-8-10-4-1-2-6-12(10)21-13/h1-9H,(H3,17,19,20)
InChIKeyJHCJMWBOQIJSSJ-UHFFFAOYSA-N
XLogP3.47
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine (CID 80521671) is 5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cc3ccccc3o2)c1-c1cccnc1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The InChIKey is JHCJMWBOQIJSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-16-14(11-5-3-7-18-9-11)15(19-20-16)13-8-10-4-1-2-6-12(10)21-13/h1-9H,(H3,17,19,20).
What are the key properties of 5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine has a molecular weight of 276.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80521671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).