3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

C16H13N3OS — CID 62503065

IUPAC3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2cc3ccccc3o2)c(-c2cccs2)c1N
InChIInChI=1S/C16H13N3OS/c1-19-16(17)14(13-7-4-8-21-13)15(18-19)12-9-10-5-2-3-6-11(10)20-12/h2-9H,17H2,1H3
InChIKeyGNEPZRIDZZDJLN-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.14
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 62503065) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
PubChem CID62503065
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2cc3ccccc3o2)c(-c2cccs2)c1N
InChIInChI=1S/C16H13N3OS/c1-19-16(17)14(13-7-4-8-21-13)15(18-19)12-9-10-5-2-3-6-11(10)20-12/h2-9H,17H2,1H3
InChIKeyGNEPZRIDZZDJLN-UHFFFAOYSA-N
XLogP4.14
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.14
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-methyl-4-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (CID 62503065) is 3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is Cn1nc(-c2cc3ccccc3o2)c(-c2cccs2)c1N.
What is the InChIKey of 3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is GNEPZRIDZZDJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-19-16(17)14(13-7-4-8-21-13)15(18-19)12-9-10-5-2-3-6-11(10)20-12/h2-9H,17H2,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine has a molecular weight of 295.37 g/mol, XLogP of 4.14, 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-methyl-4-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 62503065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).