(3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone

C11H8BrClN2O — CID 107944480

IUPAC(3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H8BrClN2O/c1-15-10(2-3-14-15)11(16)7-4-8(12)6-9(13)5-7/h2-6H,1H3
InChIKeyHEDVDADSDMEZPX-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.07
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone

(3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 107944480) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone
PubChem CID107944480
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name(3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H8BrClN2O/c1-15-10(2-3-14-15)11(16)7-4-8(12)6-9(13)5-7/h2-6H,1H3
InChIKeyHEDVDADSDMEZPX-UHFFFAOYSA-N
XLogP3.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 103826536
(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972423
(4-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 63960955
(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 114972609
(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
CID 114972670
(3-amino-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 116597326
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773
(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972633
(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972567
1-(3-bromo-5-chlorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107944900
(3-bromo-5-chlorophenyl)-(2-methylphenyl)methanone
CID 107944273

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone (CID 107944480) is (3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is HEDVDADSDMEZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c1-15-10(2-3-14-15)11(16)7-4-8(12)6-9(13)5-7/h2-6H,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone?
(3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 299.56 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 107944480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).