(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

C13H13BrN2O2 — CID 115809747

IUPAC(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1ccc(Br)cc1C
InChIInChI=1S/C13H13BrN2O2/c1-8-6-9(14)4-5-10(8)13(17)12-11(18-3)7-15-16(12)2/h4-7H,1-3H3
InChIKeyRHKPOQHRPWFFEX-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.73
Rot. Bonds3

About (4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (PubChem CID 115809747) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
PubChem CID115809747
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1ccc(Br)cc1C
InChIInChI=1S/C13H13BrN2O2/c1-8-6-9(14)4-5-10(8)13(17)12-11(18-3)7-15-16(12)2/h4-7H,1-3H3
InChIKeyRHKPOQHRPWFFEX-UHFFFAOYSA-N
XLogP2.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107944797
(5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone
CID 112742469
(2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809643
(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641952
(2-amino-4-bromophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114670253
(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114668105
(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114029983
(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809508
(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132801
(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132806
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (CID 115809747) is (4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is COc1cnn(C)c1C(=O)c1ccc(Br)cc1C.
What is the InChIKey of (4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The InChIKey is RHKPOQHRPWFFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-6-9(14)4-5-10(8)13(17)12-11(18-3)7-15-16(12)2/h4-7H,1-3H3.
What are the key properties of (4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone has a molecular weight of 309.16 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 115809747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).