(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

C12H10Br2N2O2 — CID 107944797

IUPAC(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O2/c1-16-11(10(18-2)6-15-16)12(17)8-4-3-7(13)5-9(8)14/h3-6H,1-2H3
InChIKeySPCHBRNRPYMUNX-UHFFFAOYSA-N
MW374.03 g/mol
LogP3.18
Rot. Bonds3

About (2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (PubChem CID 107944797) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
PubChem CID107944797
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC Name(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O2/c1-16-11(10(18-2)6-15-16)12(17)8-4-3-7(13)5-9(8)14/h3-6H,1-2H3
InChIKeySPCHBRNRPYMUNX-UHFFFAOYSA-N
XLogP3.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809747
(5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone
CID 112742469
(2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809643
(2-amino-4-bromophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114670253
(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114029983
(2-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 107996757
(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132801
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114668105
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809508

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (CID 107944797) is (2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is COc1cnn(C)c1C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The InChIKey is SPCHBRNRPYMUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2/c1-16-11(10(18-2)6-15-16)12(17)8-4-3-7(13)5-9(8)14/h3-6H,1-2H3.
What are the key properties of (2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone has a molecular weight of 374.03 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 107944797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).