4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid

C8H10BrN3O2 — CID 83913318

IUPAC4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc(Br)c2c1CCC2(N)C(=O)O
InChIInChI=1S/C8H10BrN3O2/c1-12-4-2-3-8(10,7(13)14)5(4)6(9)11-12/h2-3,10H2,1H3,(H,13,14)
InChIKeyBRHUMFUNHRXXDS-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.37
Rot. Bonds1

About 4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid

4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83913318) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83913318
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc(Br)c2c1CCC2(N)C(=O)O
InChIInChI=1S/C8H10BrN3O2/c1-12-4-2-3-8(10,7(13)14)5(4)6(9)11-12/h2-3,10H2,1H3,(H,13,14)
InChIKeyBRHUMFUNHRXXDS-UHFFFAOYSA-N
XLogP0.37
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861572
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
1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861585
3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861592
1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861599
2,3-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83906435
4-Amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83906476
4-Amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
CID 83906477
Methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate
CID 83907784
2-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83909230
Methyl 4-amino-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate
CID 83909317

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid (CID 83913318) is 4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid is Cn1nc(Br)c2c1CCC2(N)C(=O)O.
What is the InChIKey of 4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is BRHUMFUNHRXXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-12-4-2-3-8(10,7(13)14)5(4)6(9)11-12/h2-3,10H2,1H3,(H,13,14).
What are the key properties of 4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 260.09 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83913318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).