N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide

C13H11N3O2 — CID 27148287

IUPACN-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCn1ccc(NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C13H11N3O2/c1-16-7-6-12(15-16)14-13(17)11-8-9-4-2-3-5-10(9)18-11/h2-8H,1H3,(H,14,15,17)
InChIKeyJKGRJWPOUOAGRW-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.42
Rot. Bonds2

About N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide

N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 27148287) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID27148287
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCn1ccc(NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C13H11N3O2/c1-16-7-6-12(15-16)14-13(17)11-8-9-4-2-3-5-10(9)18-11/h2-8H,1H3,(H,14,15,17)
InChIKeyJKGRJWPOUOAGRW-UHFFFAOYSA-N
XLogP2.42
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 10849364
N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 166197616
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 73051566
5-chloro-N-(1-methylpyrazol-3-yl)furan-2-carboxamide
CID 51237986
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 6459983
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide
CID 72717798
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide
CID 122356252
2-amino-N-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 62160962
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[(2-methyltetrazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 932803

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide (CID 27148287) is N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide is Cn1ccc(NC(=O)c2cc3ccccc3o2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is JKGRJWPOUOAGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-16-7-6-12(15-16)14-13(17)11-8-9-4-2-3-5-10(9)18-11/h2-8H,1H3,(H,14,15,17).
What are the key properties of N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide?
N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 27148287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).