2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone

C14H15BrN2O2 — CID 62129748

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C14H15BrN2O2/c1-9-14(15)10(2)17(16-9)8-12(18)11-6-4-5-7-13(11)19-3/h4-7H,8H2,1-3H3
InChIKeyAPJAGGMLULKSLQ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.15
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone (PubChem CID 62129748) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone
PubChem CID62129748
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C14H15BrN2O2/c1-9-14(15)10(2)17(16-9)8-12(18)11-6-4-5-7-13(11)19-3/h4-7H,8H2,1-3H3
InChIKeyAPJAGGMLULKSLQ-UHFFFAOYSA-N
XLogP3.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Bromo-3,5-dimethylpyrazol-1-yl)(4-methoxyphenyl)methanone
CID 714833
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
(E)-3-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 5937999
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-2-methoxybenzamide
CID 2225516
(3,5-Dimethylpyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 754113
2-(3,5-Dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 3829776
3-(2-Diazolyl)-chromone
CID 56996312
3-{[4-bromo-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-methoxybenzaldehyde
CID 17024767
4-Bromo-5-(2-fluoro-4-methoxyphenyl)-2-methylpyrazole-3-carbaldehyde
CID 87276160
1-[5-(4-Fluoro-2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
CID 134315523
3-(Fluoromethyl)-1-[(2-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 143099873
4-(3-Bromo-1-methylpyrazol-5-yl)-2-(difluoromethoxy)benzaldehyde
CID 177176215

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone (CID 62129748) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)Cn1nc(C)c(Br)c1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone?
The InChIKey is APJAGGMLULKSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-14(15)10(2)17(16-9)8-12(18)11-6-4-5-7-13(11)19-3/h4-7H,8H2,1-3H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone has a molecular weight of 323.19 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 62129748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).