3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid

C7H7BrN2O3 — CID 83912946

IUPAC3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESO=C(O)C1(O)CCc2[nH]nc(Br)c21
InChIInChI=1S/C7H7BrN2O3/c8-5-4-3(9-10-5)1-2-7(4,13)6(11)12/h13H,1-2H2,(H,9,10)(H,11,12)
InChIKeyPJPFTNYTCWAIRA-UHFFFAOYSA-N
MW247.05 g/mol
LogP0.39
Rot. Bonds1

About 3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid

3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83912946) has the molecular formula C7H7BrN2O3 and a molecular weight of 247.05 g/mol. Its IUPAC name is 3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83912946
Molecular FormulaC7H7BrN2O3
Molecular Weight247.05 g/mol
Exact Mass245.96
IUPAC Name3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESO=C(O)C1(O)CCc2[nH]nc(Br)c21
InChIInChI=1S/C7H7BrN2O3/c8-5-4-3(9-10-5)1-2-7(4,13)6(11)12/h13H,1-2H2,(H,9,10)(H,11,12)
InChIKeyPJPFTNYTCWAIRA-UHFFFAOYSA-N
XLogP0.39
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83905660
4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83906644
3-cyclopropyl-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83909195
4-hydroxy-3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83909536
3-Bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83911599
4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83912904
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
4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 112715479

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid (CID 83912946) is 3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid is O=C(O)C1(O)CCc2[nH]nc(Br)c21.
What is the InChIKey of 3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is PJPFTNYTCWAIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3/c8-5-4-3(9-10-5)1-2-7(4,13)6(11)12/h13H,1-2H2,(H,9,10)(H,11,12).
What are the key properties of 3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 247.05 g/mol, XLogP of 0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83912946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).