2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone

C16H25BrN2O2 — CID 116749744

IUPAC2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
SMILESCCn1nc(C)c(Br)c1CC(=O)C1(OC)CCCC(C)C1
InChIInChI=1S/C16H25BrN2O2/c1-5-19-13(15(17)12(3)18-19)9-14(20)16(21-4)8-6-7-11(2)10-16/h11H,5-10H2,1-4H3
InChIKeyVJMPDGCGKRBCKN-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.68
Rot. Bonds5

About 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone (PubChem CID 116749744) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
PubChem CID116749744
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
SMILESCCn1nc(C)c(Br)c1CC(=O)C1(OC)CCCC(C)C1
InChIInChI=1S/C16H25BrN2O2/c1-5-19-13(15(17)12(3)18-19)9-14(20)16(21-4)8-6-7-11(2)10-16/h11H,5-10H2,1-4H3
InChIKeyVJMPDGCGKRBCKN-UHFFFAOYSA-N
XLogP3.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone 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-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116576526
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749703
1-(1-aminocyclohexyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116550456
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569367
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,2-dimethylcyclohexyl)ethanone
CID 107187134
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749707
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116604048
2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749721
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-one
CID 79198209
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749729
3-amino-1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-one
CID 116593988
2-(1,3-benzothiazol-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749606

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone?
The IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone (CID 116749744) is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone is CCn1nc(C)c(Br)c1CC(=O)C1(OC)CCCC(C)C1.
What is the InChIKey of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone?
The InChIKey is VJMPDGCGKRBCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-5-19-13(15(17)12(3)18-19)9-14(20)16(21-4)8-6-7-11(2)10-16/h11H,5-10H2,1-4H3.
What are the key properties of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone?
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone has a molecular weight of 357.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone is sourced from PubChem (CID 116749744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).