(4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone

C12H8BrN3O2 — CID 112524965

IUPAC(4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone
SMILESNc1cnn(C(=O)c2cc3c(Br)cccc3o2)c1
InChIInChI=1S/C12H8BrN3O2/c13-9-2-1-3-10-8(9)4-11(18-10)12(17)16-6-7(14)5-15-16/h1-6H,14H2
InChIKeyIANSUBIRDAGEEY-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.66
Rot. Bonds1

About (4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone

(4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone (PubChem CID 112524965) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is (4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone
PubChem CID112524965
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC Name(4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone
SMILESNc1cnn(C(=O)c2cc3c(Br)cccc3o2)c1
InChIInChI=1S/C12H8BrN3O2/c13-9-2-1-3-10-8(9)4-11(18-10)12(17)16-6-7(14)5-15-16/h1-6H,14H2
InChIKeyIANSUBIRDAGEEY-UHFFFAOYSA-N
XLogP2.66
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-aminopyrazol-1-yl)-(4-bromo-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

(4-bromo-1-benzofuran-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 112531844
4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
CID 112530743
4-bromo-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 84577804
4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529138
1-(4-bromo-1-benzofuran-2-yl)propan-2-one
CID 117194378
(2-bromophenyl)-(4-methylpyrazol-1-yl)methanone
CID 1245528
4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529086
4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide
CID 84577585
4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529275
4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide
CID 112525549
4-bromo-2-phenyl-1-benzofuran
CID 11277308
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide
CID 112522723

Frequently Asked Questions

What is the IUPAC name of (4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone (CID 112524965) is (4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone is Nc1cnn(C(=O)c2cc3c(Br)cccc3o2)c1.
What is the InChIKey of (4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone?
The InChIKey is IANSUBIRDAGEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c13-9-2-1-3-10-8(9)4-11(18-10)12(17)16-6-7(14)5-15-16/h1-6H,14H2.
What are the key properties of (4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone?
(4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone has a molecular weight of 306.12 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopyrazol-1-yl)-(4-bromo-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 112524965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).