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

C8H9BrN2O2 — CID 83912873

IUPAC3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc(Br)c2c1CCC2C(=O)O
InChIInChI=1S/C8H9BrN2O2/c1-11-5-3-2-4(8(12)13)6(5)7(9)10-11/h4H,2-3H2,1H3,(H,12,13)
InChIKeyUVUAOGNZMXEKTE-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.30
Rot. Bonds1

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

3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83912873) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83912873
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc(Br)c2c1CCC2C(=O)O
InChIInChI=1S/C8H9BrN2O2/c1-11-5-3-2-4(8(12)13)6(5)7(9)10-11/h4H,2-3H2,1H3,(H,12,13)
InChIKeyUVUAOGNZMXEKTE-UHFFFAOYSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.30
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
2-[(4-Bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 81007751
2-[(4-Bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 81008083
2-[(4-Bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 81008879
2-[(4-Bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 81008880
2-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 82414342
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861433
3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861440
3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861558
2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861562
1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861578

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid (CID 83912873) is 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid is Cn1nc(Br)c2c1CCC2C(=O)O.
What is the InChIKey of 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is UVUAOGNZMXEKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-11-5-3-2-4(8(12)13)6(5)7(9)10-11/h4H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 245.08 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83912873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).