3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine

C17H19N3O — CID 83208387

IUPAC3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine
SMILESNc1cn(C2CCCCC2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C17H19N3O/c18-14-11-20(13-7-2-1-3-8-13)19-17(14)16-10-12-6-4-5-9-15(12)21-16/h4-6,9-11,13H,1-3,7-8,18H2
InChIKeySLLBIJICTAZIFE-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.38
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine

3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine (PubChem CID 83208387) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine
PubChem CID83208387
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine
SMILESNc1cn(C2CCCCC2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C17H19N3O/c18-14-11-20(13-7-2-1-3-8-13)19-17(14)16-10-12-6-4-5-9-15(12)21-16/h4-6,9-11,13H,1-3,7-8,18H2
InChIKeySLLBIJICTAZIFE-UHFFFAOYSA-N
XLogP4.38
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine (CID 83208387) is 3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine is Nc1cn(C2CCCCC2)nc1-c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine?
The InChIKey is SLLBIJICTAZIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-14-11-20(13-7-2-1-3-8-13)19-17(14)16-10-12-6-4-5-9-15(12)21-16/h4-6,9-11,13H,1-3,7-8,18H2.
What are the key properties of 3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine?
3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine is sourced from PubChem (CID 83208387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).