2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid

C9H11BrN2O3 — CID 83913832

IUPAC2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCn1nc(Br)c2c1CCC2(O)CC(=O)O
InChIInChI=1S/C9H11BrN2O3/c1-12-5-2-3-9(15,4-6(13)14)7(5)8(10)11-12/h15H,2-4H2,1H3,(H,13,14)
InChIKeyQEDAOQFIKHREHG-UHFFFAOYSA-N
MW275.10 g/mol
LogP0.79
Rot. Bonds2

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

2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid (PubChem CID 83913832) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
PubChem CID83913832
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCn1nc(Br)c2c1CCC2(O)CC(=O)O
InChIInChI=1S/C9H11BrN2O3/c1-12-5-2-3-9(15,4-6(13)14)7(5)8(10)11-12/h15H,2-4H2,1H3,(H,13,14)
InChIKeyQEDAOQFIKHREHG-UHFFFAOYSA-N
XLogP0.79
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83907957
2-(4-Hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 83907958
4-Hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
CID 83907961
4-Hydroxy-2,3-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83907962
2-(4-Hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 83909529
2-(4-Hydroxy-2,3-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83909530
3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83912872
3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83912873
2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83913280
2-(3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83913281
2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83913357
3-Bromo-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83913359

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid (CID 83913832) is 2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid is Cn1nc(Br)c2c1CCC2(O)CC(=O)O.
What is the InChIKey of 2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The InChIKey is QEDAOQFIKHREHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c1-12-5-2-3-9(15,4-6(13)14)7(5)8(10)11-12/h15H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid?
2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid has a molecular weight of 275.10 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 83913832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).