azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone

C11H16BrN3O — CID 903069

IUPACazepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone
SMILESCn1cc(Br)c(C(=O)N2CCCCCC2)n1
InChIInChI=1S/C11H16BrN3O/c1-14-8-9(12)10(13-14)11(16)15-6-4-2-3-5-7-15/h8H,2-7H2,1H3
InChIKeyBBGXJFKLHRTCKB-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.20
Rot. Bonds1

About azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone

azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone (PubChem CID 903069) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone
PubChem CID903069
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Nameazepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone
SMILESCn1cc(Br)c(C(=O)N2CCCCCC2)n1
InChIInChI=1S/C11H16BrN3O/c1-14-8-9(12)10(13-14)11(16)15-6-4-2-3-5-7-15/h8H,2-7H2,1H3
InChIKeyBBGXJFKLHRTCKB-UHFFFAOYSA-N
XLogP2.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze azepan-1-yl-(4-bromo-1-methylpyrazol-3-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-N-cyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 750357
4-bromo-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 903382
4-bromo-N-cyclooctyl-1-ethyl-1H-pyrazole-5-carboxamide
CID 831883
4-bromo-N-cyclooctyl-1-methyl-1H-pyrazole-5-carboxamide
CID 844722
4-bromo-N-cycloheptyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903183
4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane
CID 1219586
(4-Bromo-2-methylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 1219595
4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 661401
(4-bromo-1-methyl-1H-pyrazol-3-yl)(4-bromo-1H-pyrazol-1-yl)methanone
CID 699658
4-Bromo-N,N,1-triethyl-1H-pyrazole-5-carboxamide
CID 4770548
4-bromo-1-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 17020975

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone?
The IUPAC name of azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone (CID 903069) is azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone?
The canonical SMILES for azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone is Cn1cc(Br)c(C(=O)N2CCCCCC2)n1.
What is the InChIKey of azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone?
The InChIKey is BBGXJFKLHRTCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-14-8-9(12)10(13-14)11(16)15-6-4-2-3-5-7-15/h8H,2-7H2,1H3.
What are the key properties of azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone?
azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone has a molecular weight of 286.17 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-bromo-1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 903069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).