(5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone

C12H9N3O2 — CID 114725427

IUPAC(5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone
SMILESNc1[nH]ncc1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H9N3O2/c13-12-8(6-14-15-12)11(16)10-5-7-3-1-2-4-9(7)17-10/h1-6H,(H3,13,14,15)
InChIKeyDFERMOFMKSPSKL-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.97
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone

(5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone (PubChem CID 114725427) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone
PubChem CID114725427
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone
SMILESNc1[nH]ncc1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H9N3O2/c13-12-8(6-14-15-12)11(16)10-5-7-3-1-2-4-9(7)17-10/h1-6H,(H3,13,14,15)
InChIKeyDFERMOFMKSPSKL-UHFFFAOYSA-N
XLogP1.97
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-amino-1H-pyrazol-4-yl)-(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-benzofuran-2-yl(2-benzofuran-1-yl)methanone
CID 141203650
1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 114737388
1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
CID 11055263
1-benzofuran-2-yl-(5-bromo-2-iodophenyl)methanone
CID 114032573
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026
5-(1-benzofuran-2-ylmethyl)-1H-pyrazole-4-carboxylic acid
CID 82377950
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-benzofuran-2-yl-(3,4-diphenyl-1H-pyrazol-5-yl)methanone
CID 135065422
1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone
CID 141300148
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
(5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone
CID 14674018

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone (CID 114725427) is (5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone is Nc1[nH]ncc1C(=O)c1cc2ccccc2o1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone?
The InChIKey is DFERMOFMKSPSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-12-8(6-14-15-12)11(16)10-5-7-3-1-2-4-9(7)17-10/h1-6H,(H3,13,14,15).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone?
(5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone has a molecular weight of 227.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114725427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).