N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide

C16H19N3O2 — CID 123137699

IUPACN-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccnn2C(C)C)oc2c1=CCCC=2
InChIInChI=1S/C16H19N3O2/c1-10(2)19-12(8-9-18-19)15-14(16(20)17-3)11-6-4-5-7-13(11)21-15/h6-10H,4-5H2,1-3H3,(H,17,20)
InChIKeyCUODDDZBPJNCAZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.44
Rot. Bonds3

About N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide

N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide (PubChem CID 123137699) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide
PubChem CID123137699
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccnn2C(C)C)oc2c1=CCCC=2
InChIInChI=1S/C16H19N3O2/c1-10(2)19-12(8-9-18-19)15-14(16(20)17-3)11-6-4-5-7-13(11)21-15/h6-10H,4-5H2,1-3H3,(H,17,20)
InChIKeyCUODDDZBPJNCAZ-UHFFFAOYSA-N
XLogP1.44
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide (CID 123137699) is N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccnn2C(C)C)oc2c1=CCCC=2.
What is the InChIKey of N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is CUODDDZBPJNCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)19-12(8-9-18-19)15-14(16(20)17-3)11-6-4-5-7-13(11)21-15/h6-10H,4-5H2,1-3H3,(H,17,20).
What are the key properties of N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide?
N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propan-2-ylpyrazol-3-yl)-5,6-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 123137699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).