N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide

C16H15N3O2 — CID 167937795

IUPACN-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(Nc1cc(-c2cccc3c2OCC3)[nH]n1)C12CC1C2
InChIInChI=1S/C16H15N3O2/c20-15(16-7-10(16)8-16)17-13-6-12(18-19-13)11-3-1-2-9-4-5-21-14(9)11/h1-3,6,10H,4-5,7-8H2,(H2,17,18,19,20)
InChIKeyHRTUTEWRYNKTBS-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.36
Rot. Bonds3

About N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide

N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 167937795) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID167937795
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(Nc1cc(-c2cccc3c2OCC3)[nH]n1)C12CC1C2
InChIInChI=1S/C16H15N3O2/c20-15(16-7-10(16)8-16)17-13-6-12(18-19-13)11-3-1-2-9-4-5-21-14(9)11/h1-3,6,10H,4-5,7-8H2,(H2,17,18,19,20)
InChIKeyHRTUTEWRYNKTBS-UHFFFAOYSA-N
XLogP2.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide (CID 167937795) is N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide is O=C(Nc1cc(-c2cccc3c2OCC3)[nH]n1)C12CC1C2.
What is the InChIKey of N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is HRTUTEWRYNKTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15(16-7-10(16)8-16)17-13-6-12(18-19-13)11-3-1-2-9-4-5-21-14(9)11/h1-3,6,10H,4-5,7-8H2,(H2,17,18,19,20).
What are the key properties of N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide?
N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 167937795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).