2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid

C7H9BrN2O2 — CID 7017278

IUPAC2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(Br)cn1
InChIInChI=1S/C7H9BrN2O2/c1-7(2,6(11)12)10-4-5(8)3-9-10/h3-4H,1-2H3,(H,11,12)
InChIKeyFDFLFWTVMKIZMX-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.47
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid

2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid (PubChem CID 7017278) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid
PubChem CID7017278
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(Br)cn1
InChIInChI=1S/C7H9BrN2O2/c1-7(2,6(11)12)10-4-5(8)3-9-10/h3-4H,1-2H3,(H,11,12)
InChIKeyFDFLFWTVMKIZMX-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1H-pyrazol-1-yl)acetic acid
CID 17024755
2-(1H-Pyrazol-1-yl)propanoic acid
CID 16793133
Ethyl 2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate
CID 59231678
2-(4-methyl-1H-pyrazol-1-yl)acetic acid
CID 6485345
3-(4-bromo-1H-pyrazol-1-yl)propanoic acid
CID 7018449
alpha,alpha-Dimethyl-1H-pyrazole-1-acetic acid
CID 2763345
ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate
CID 7017475
3-(4-Bromo-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 16640639
2-(4-Bromo-1H-pyrazol-1-yl)propanoic acid
CID 16640640
2-(4-Methyl-Pyrazol-1-Yl)-Propionic Acid
CID 17024576
methyl 2-(4-bromo-1H-pyrazol-1-yl)propanoate
CID 17024860
3-methyl-2-(4-methyl-1H-pyrazol-1-yl)butanoic acid
CID 25248695

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid (CID 7017278) is 2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid?
The InChIKey is FDFLFWTVMKIZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-7(2,6(11)12)10-4-5(8)3-9-10/h3-4H,1-2H3,(H,11,12).
What are the key properties of 2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid?
2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid has a molecular weight of 233.06 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 7017278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).