1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one

C16H19BrN2O — CID 115814890

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one
SMILESCCC(C)C(C(=O)c1c(Br)cnn1C)c1ccccc1
InChIInChI=1S/C16H19BrN2O/c1-4-11(2)14(12-8-6-5-7-9-12)16(20)15-13(17)10-18-19(15)3/h5-11,14H,4H2,1-3H3
InChIKeyXVLDKYHCNYPZFR-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.20
Rot. Bonds5

About 1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one

1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one (PubChem CID 115814890) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one
PubChem CID115814890
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one
SMILESCCC(C)C(C(=O)c1c(Br)cnn1C)c1ccccc1
InChIInChI=1S/C16H19BrN2O/c1-4-11(2)14(12-8-6-5-7-9-12)16(20)15-13(17)10-18-19(15)3/h5-11,14H,4H2,1-3H3
InChIKeyXVLDKYHCNYPZFR-UHFFFAOYSA-N
XLogP4.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one 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-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethanone
CID 114641403
1-(4,5-dibromothiophen-2-yl)-3-methyl-2-phenylpentan-1-one
CID 80532609
3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 114972283
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one
CID 113218827
1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114638939
1-(4-bromo-1-methylpyrazol-5-yl)-2-(methylamino)propan-1-one
CID 114668964
3-methyl-2-phenyl-1-(1H-pyrrol-2-yl)pentan-1-one
CID 63750151
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114668356
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114668233
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)hexan-1-one
CID 114668548
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone
CID 114639397
1-(4-bromo-1-methylpyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638769

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one (CID 115814890) is 1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one is CCC(C)C(C(=O)c1c(Br)cnn1C)c1ccccc1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one?
The InChIKey is XVLDKYHCNYPZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-4-11(2)14(12-8-6-5-7-9-12)16(20)15-13(17)10-18-19(15)3/h5-11,14H,4H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one?
1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one has a molecular weight of 335.25 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one is sourced from PubChem (CID 115814890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).