2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid

C9H11BrN2O2 — CID 83913281

IUPAC2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCn1nc(Br)c2c1CCC2CC(=O)O
InChIInChI=1S/C9H11BrN2O2/c1-12-6-3-2-5(4-7(13)14)8(6)9(10)11-12/h5H,2-4H2,1H3,(H,13,14)
InChIKeyQQWKBENGTXCBLD-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.69
Rot. Bonds2

About 2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid

2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid (PubChem CID 83913281) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
PubChem CID83913281
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCn1nc(Br)c2c1CCC2CC(=O)O
InChIInChI=1S/C9H11BrN2O2/c1-12-6-3-2-5(4-7(13)14)8(6)9(10)11-12/h5H,2-4H2,1H3,(H,13,14)
InChIKeyQQWKBENGTXCBLD-UHFFFAOYSA-N
XLogP1.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861572
2-fluoro-2-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 165493434
4-(4-Bromo-1,3-dimethylpyrazol-5-yl)-3,3-dimethylbutanoic acid
CID 81003589
4-(4-Bromo-3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylbutanoic acid
CID 81004279
2-[(4-Bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 81007751
2-[(4-Bromo-1,3-dimethylpyrazol-5-yl)methyl]cycloheptane-1-carboxylic acid
CID 81007884
2-[(4-Bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cycloheptane-1-carboxylic acid
CID 81007984
2-[(4-Bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclobutane-1-carboxylic acid
CID 81008004
4-(4-Bromo-1,3-dimethylpyrazol-5-yl)-2-methylbutanoic acid
CID 81008020
4-(4-Bromo-1-ethyl-3-methylpyrazol-5-yl)-2-methylbutanoic acid
CID 81008021
2-[(4-Bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 81008083
2-[(4-Bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclobutane-1-carboxylic acid
CID 81008119

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid (CID 83913281) is 2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid is Cn1nc(Br)c2c1CCC2CC(=O)O.
What is the InChIKey of 2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The InChIKey is QQWKBENGTXCBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-12-6-3-2-5(4-7(13)14)8(6)9(10)11-12/h5H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid?
2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid has a molecular weight of 259.10 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 83913281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).