2-(4-bromo-5-methylpyrazol-1-yl)acetate

C6H6BrN2O2- — CID 7015020

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)acetate
SMILESCc1c(Br)cnn1CC(=O)[O-]
InChIInChI=1S/C6H7BrN2O2/c1-4-5(7)2-8-9(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)/p-1
InChIKeyFQEKYGLAIHOXBZ-UHFFFAOYSA-M
MW218.03 g/mol
LogP-0.30
Rot. Bonds2

About 2-(4-bromo-5-methylpyrazol-1-yl)acetate

2-(4-bromo-5-methylpyrazol-1-yl)acetate (PubChem CID 7015020) has the molecular formula C6H6BrN2O2- and a molecular weight of 218.03 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)acetate
PubChem CID7015020
Molecular FormulaC6H6BrN2O2-
Molecular Weight218.03 g/mol
Exact Mass216.96
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)acetate
SMILESCc1c(Br)cnn1CC(=O)[O-]
InChIInChI=1S/C6H7BrN2O2/c1-4-5(7)2-8-9(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)/p-1
InChIKeyFQEKYGLAIHOXBZ-UHFFFAOYSA-M
XLogP-0.30
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.03
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide
CID 4769758
2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19575088
2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19531074
2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 19517837
methyl 4-[[2-(4-bromo-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19517919
2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
CID 19517975
2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 19517730
2-(4-bromo-5-methylpyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 17023747
2-(5-amino-4-bromopyrazol-1-yl)-N-methylacetamide
CID 131089015
N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19570101
1-benzyl-4-bromo-5-methylpyrazole
CID 15129851
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromo-5-methylpyrazol-1-yl)acetamide
CID 19517832

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)acetate?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)acetate (CID 7015020) is 2-(4-bromo-5-methylpyrazol-1-yl)acetate.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)acetate?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)acetate is Cc1c(Br)cnn1CC(=O)[O-].
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)acetate?
The InChIKey is FQEKYGLAIHOXBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7BrN2O2/c1-4-5(7)2-8-9(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)/p-1.
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)acetate?
2-(4-bromo-5-methylpyrazol-1-yl)acetate has a molecular weight of 218.03 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)acetate is sourced from PubChem (CID 7015020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).