N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

C16H17N3O3 — CID 129000622

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1COc2ccccc21)c1cn[nH]c1C1CCOC1
InChIInChI=1S/C16H17N3O3/c20-16(12-7-17-19-15(12)10-5-6-21-8-10)18-13-9-22-14-4-2-1-3-11(13)14/h1-4,7,10,13H,5-6,8-9H2,(H,17,19)(H,18,20)
InChIKeyMUHXBZKSHJNXIZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.78
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 129000622) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID129000622
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1COc2ccccc21)c1cn[nH]c1C1CCOC1
InChIInChI=1S/C16H17N3O3/c20-16(12-7-17-19-15(12)10-5-6-21-8-10)18-13-9-22-14-4-2-1-3-11(13)14/h1-4,7,10,13H,5-6,8-9H2,(H,17,19)(H,18,20)
InChIKeyMUHXBZKSHJNXIZ-UHFFFAOYSA-N
XLogP1.78
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (CID 129000622) is N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is O=C(NC1COc2ccccc21)c1cn[nH]c1C1CCOC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is MUHXBZKSHJNXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-16(12-7-17-19-15(12)10-5-6-21-8-10)18-13-9-22-14-4-2-1-3-11(13)14/h1-4,7,10,13H,5-6,8-9H2,(H,17,19)(H,18,20).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129000622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).