2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid

C10H13BrN2O2 — CID 115050709

IUPAC2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid
SMILESO=C(O)Cc1cc(Br)n(C2CCCC2)n1
InChIInChI=1S/C10H13BrN2O2/c11-9-5-7(6-10(14)15)12-13(9)8-3-1-2-4-8/h5,8H,1-4,6H2,(H,14,15)
InChIKeyCMTWTWFJYFNWJJ-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.39
Rot. Bonds3

About 2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid

2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid (PubChem CID 115050709) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid
PubChem CID115050709
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid
SMILESO=C(O)Cc1cc(Br)n(C2CCCC2)n1
InChIInChI=1S/C10H13BrN2O2/c11-9-5-7(6-10(14)15)12-13(9)8-3-1-2-4-8/h5,8H,1-4,6H2,(H,14,15)
InChIKeyCMTWTWFJYFNWJJ-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 5-bromo-1-cyclopentylpyrazole-3-carboxylate
CID 145329445
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2-(5-bromo-1-propylpyrazol-3-yl)acetic acid
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2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
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2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
CID 136982050
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CID 83852901
3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid
CID 117123276
2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid
CID 112712810
5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid
CID 175750682
(1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 90875781
1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid
CID 145428197
2-(1-cyclopentyl-5-methylimidazol-2-yl)acetic acid
CID 83883906

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid?
The IUPAC name of 2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid (CID 115050709) is 2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid is O=C(O)Cc1cc(Br)n(C2CCCC2)n1.
What is the InChIKey of 2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid?
The InChIKey is CMTWTWFJYFNWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-9-5-7(6-10(14)15)12-13(9)8-3-1-2-4-8/h5,8H,1-4,6H2,(H,14,15).
What are the key properties of 2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid?
2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid has a molecular weight of 273.13 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-cyclopentylpyrazol-3-yl)acetic acid is sourced from PubChem (CID 115050709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).