2-(5-bromopyrazol-1-yl)propanoic acid

C6H7BrN2O2 — CID 122170343

IUPAC2-(5-bromopyrazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nccc1Br
InChIInChI=1S/C6H7BrN2O2/c1-4(6(10)11)9-5(7)2-3-8-9/h2-4H,1H3,(H,10,11)
InChIKeyUIZAKWKPGQYOIJ-UHFFFAOYSA-N
MW219.04 g/mol
LogP1.29
Rot. Bonds2

About 2-(5-bromopyrazol-1-yl)propanoic acid

2-(5-bromopyrazol-1-yl)propanoic acid (PubChem CID 122170343) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 2-(5-bromopyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-bromopyrazol-1-yl)propanoic acid
PubChem CID122170343
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name2-(5-bromopyrazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nccc1Br
InChIInChI=1S/C6H7BrN2O2/c1-4(6(10)11)9-5(7)2-3-8-9/h2-4H,1H3,(H,10,11)
InChIKeyUIZAKWKPGQYOIJ-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-carboxyethyl)pyrazole-3-carboxylic acid
CID 19489942
(2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
CID 7017609
2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
CID 17024617
(2R)-2-(7-bromo-1-oxophthalazin-2-yl)propanoic acid
CID 97179734
2-[5-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19487542
2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487828
2-[5-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487546
2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19487864
2-(1-cyclopropylethyl)pyrazole-3-carboxylic acid
CID 164806432
(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid
CID 7026044
2-[5-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485877
2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487657

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrazol-1-yl)propanoic acid?
The IUPAC name of 2-(5-bromopyrazol-1-yl)propanoic acid (CID 122170343) is 2-(5-bromopyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-bromopyrazol-1-yl)propanoic acid?
The canonical SMILES for 2-(5-bromopyrazol-1-yl)propanoic acid is CC(C(=O)O)n1nccc1Br.
What is the InChIKey of 2-(5-bromopyrazol-1-yl)propanoic acid?
The InChIKey is UIZAKWKPGQYOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-4(6(10)11)9-5(7)2-3-8-9/h2-4H,1H3,(H,10,11).
What are the key properties of 2-(5-bromopyrazol-1-yl)propanoic acid?
2-(5-bromopyrazol-1-yl)propanoic acid has a molecular weight of 219.04 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrazol-1-yl)propanoic acid is sourced from PubChem (CID 122170343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).