(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone

C13H13BrN2O2 — CID 114641952

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(Br)cnn2C)cc1C
InChIInChI=1S/C13H13BrN2O2/c1-8-6-9(4-5-11(8)18-3)13(17)12-10(14)7-15-16(12)2/h4-7H,1-3H3
InChIKeyMJAHXWVCLQVECO-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.73
Rot. Bonds3

About (4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone

(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 114641952) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID114641952
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(Br)cnn2C)cc1C
InChIInChI=1S/C13H13BrN2O2/c1-8-6-9(4-5-11(8)18-3)13(17)12-10(14)7-15-16(12)2/h4-7H,1-3H3
InChIKeyMJAHXWVCLQVECO-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

(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641947
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
(4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114669784
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-4-methoxyphenyl)methanone
CID 115806182
(5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone
CID 112742469
(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809747
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone
CID 115815063
(E)-3-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 19561063
(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114668105
(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
CID 114972670
(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114558708

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone (CID 114641952) is (4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)c2c(Br)cnn2C)cc1C.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is MJAHXWVCLQVECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-6-9(4-5-11(8)18-3)13(17)12-10(14)7-15-16(12)2/h4-7H,1-3H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone?
(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)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-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 114641952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).