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

C7H8BrN3O2 — CID 83912904

IUPAC4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESNC1(C(=O)O)CCc2[nH]nc(Br)c21
InChIInChI=1S/C7H8BrN3O2/c8-5-4-3(10-11-5)1-2-7(4,9)6(12)13/h1-2,9H2,(H,10,11)(H,12,13)
InChIKeyACKHMOJTDCTIRY-UHFFFAOYSA-N
MW246.06 g/mol
LogP0.36
Rot. Bonds1

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

4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83912904) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is 4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83912904
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESNC1(C(=O)O)CCc2[nH]nc(Br)c21
InChIInChI=1S/C7H8BrN3O2/c8-5-4-3(10-11-5)1-2-7(4,9)6(12)13/h1-2,9H2,(H,10,11)(H,12,13)
InChIKeyACKHMOJTDCTIRY-UHFFFAOYSA-N
XLogP0.36
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861625
3-Ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861612
3-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861635
3-Cyclopropyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861641
3-Propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861648
4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83905547
4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83906474
methyl 4-amino-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylate
CID 83907781
4-amino-3-cyclopropyl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83908943
4-amino-3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83909324
3-Bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83911599
(4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)methanol
CID 83911691

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid (CID 83912904) is 4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid is NC1(C(=O)O)CCc2[nH]nc(Br)c21.
What is the InChIKey of 4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is ACKHMOJTDCTIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c8-5-4-3(10-11-5)1-2-7(4,9)6(12)13/h1-2,9H2,(H,10,11)(H,12,13).
What are the key properties of 4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 246.06 g/mol, XLogP of 0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83912904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).