2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one

C13H15BrN2O — CID 62913282

IUPAC2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2Br)C(=O)C1C(C)C
InChIInChI=1S/C13H15BrN2O/c1-8(2)12-9(3)15-16(13(12)17)11-7-5-4-6-10(11)14/h4-8,12H,1-3H3
InChIKeyPSIZYTDOQBACJU-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.44
Rot. Bonds2

About 2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one

2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one (PubChem CID 62913282) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
PubChem CID62913282
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2Br)C(=O)C1C(C)C
InChIInChI=1S/C13H15BrN2O/c1-8(2)12-9(3)15-16(13(12)17)11-7-5-4-6-10(11)14/h4-8,12H,1-3H3
InChIKeyPSIZYTDOQBACJU-UHFFFAOYSA-N
XLogP3.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one;2-(2-chlorophenyl)-4-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 160575452
2-(2-bromophenyl)-5-methyl-4-(2-oxopropyl)-4H-pyrazol-3-one
CID 116817746
5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one
CID 62916033
2-(2-amino-4-chlorophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 62914762
5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one
CID 62914024
2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 165438239
(4R)-5-methyl-4-[[(4R)-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-phenylmethyl]-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 98152479
2-(2,4-dimethylphenyl)-4-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]-(2-hydroxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one
CID 3099946
(4R)-4-[bis[4-(dimethylamino)phenyl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 51563584
(4S)-4-[(2-chlorophenyl)-[(4S)-1-(2,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
CID 27042948
(4S)-4-[(2-hydroxyphenyl)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124807573
1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962438

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one?
The IUPAC name of 2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one (CID 62913282) is 2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one is CC1=NN(c2ccccc2Br)C(=O)C1C(C)C.
What is the InChIKey of 2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one?
The InChIKey is PSIZYTDOQBACJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8(2)12-9(3)15-16(13(12)17)11-7-5-4-6-10(11)14/h4-8,12H,1-3H3.
What are the key properties of 2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one?
2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one has a molecular weight of 295.18 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 62913282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).