(4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone

C14H13N3O2 — CID 112521663

IUPAC(4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2cc(C(=O)n3ncc(N)c3C)oc2c1
InChIInChI=1S/C14H13N3O2/c1-8-3-4-10-6-13(19-12(10)5-8)14(18)17-9(2)11(15)7-16-17/h3-7H,15H2,1-2H3
InChIKeyCHQLULZYHRYDSU-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.52
Rot. Bonds1

About (4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone

(4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone (PubChem CID 112521663) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
PubChem CID112521663
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name(4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2cc(C(=O)n3ncc(N)c3C)oc2c1
InChIInChI=1S/C14H13N3O2/c1-8-3-4-10-6-13(19-12(10)5-8)14(18)17-9(2)11(15)7-16-17/h3-7H,15H2,1-2H3
InChIKeyCHQLULZYHRYDSU-UHFFFAOYSA-N
XLogP2.52
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
(3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
CID 84575451
2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-one
CID 165451445
(5-aminopyrazol-1-yl)-(6-bromo-1-benzofuran-2-yl)methanone
CID 112524566
ethyl 2-(6-methyl-1-benzofuran-2-yl)-2-oxoacetate
CID 115072591
1-methyl-5-(6-methyl-1-benzofuran-2-yl)pyrazole-4-carboxylic acid
CID 115109556
[2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone
CID 112531904
N-(3,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476557
N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide
CID 112524336
(6-methyl-1-benzofuran-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 84577181
N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476452
N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 84577090

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone (CID 112521663) is (4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2cc(C(=O)n3ncc(N)c3C)oc2c1.
What is the InChIKey of (4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is CHQLULZYHRYDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-3-4-10-6-13(19-12(10)5-8)14(18)17-9(2)11(15)7-16-17/h3-7H,15H2,1-2H3.
What are the key properties of (4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone?
(4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 255.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 112521663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).