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

C15H11N3OS — CID 62503235

IUPAC5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc3ccccc3o2)c1-c1cccs1
InChIInChI=1S/C15H11N3OS/c16-15-13(12-6-3-7-20-12)14(17-18-15)11-8-9-4-1-2-5-10(9)19-11/h1-8H,(H3,16,17,18)
InChIKeyNANUJURFWIDETG-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.13
Rot. Bonds2

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

5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 62503235) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID62503235
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc3ccccc3o2)c1-c1cccs1
InChIInChI=1S/C15H11N3OS/c16-15-13(12-6-3-7-20-12)14(17-18-15)11-8-9-4-1-2-5-10(9)19-11/h1-8H,(H3,16,17,18)
InChIKeyNANUJURFWIDETG-UHFFFAOYSA-N
XLogP4.13
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.13
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-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 62503235) is 5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cc3ccccc3o2)c1-c1cccs1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is NANUJURFWIDETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c16-15-13(12-6-3-7-20-12)14(17-18-15)11-8-9-4-1-2-5-10(9)19-11/h1-8H,(H3,16,17,18).
What are the key properties of 5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 281.34 g/mol, XLogP of 4.13, 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-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 62503235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).