(3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone

C14H12N2O2 — CID 1246317

IUPAC(3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)c2oc3ccccc3c2C)c1
InChIInChI=1S/C14H12N2O2/c1-9-7-15-16(8-9)14(17)13-10(2)11-5-3-4-6-12(11)18-13/h3-8H,1-2H3
InChIKeyBGABGNOUUDMUAM-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.93
Rot. Bonds1

About (3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone

(3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone (PubChem CID 1246317) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone
PubChem CID1246317
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name(3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)c2oc3ccccc3c2C)c1
InChIInChI=1S/C14H12N2O2/c1-9-7-15-16(8-9)14(17)13-10(2)11-5-3-4-6-12(11)18-13/h3-8H,1-2H3
InChIKeyBGABGNOUUDMUAM-UHFFFAOYSA-N
XLogP2.93
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone (CID 1246317) is (3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone is Cc1cnn(C(=O)c2oc3ccccc3c2C)c1.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone?
The InChIKey is BGABGNOUUDMUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-7-15-16(8-9)14(17)13-10(2)11-5-3-4-6-12(11)18-13/h3-8H,1-2H3.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone?
(3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone has a molecular weight of 240.26 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-(4-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 1246317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).