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

C8H9BrN2O2 — CID 83912870

IUPAC2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
SMILESO=C(O)CC1CCc2[nH]nc(Br)c21
InChIInChI=1S/C8H9BrN2O2/c9-8-7-4(3-6(12)13)1-2-5(7)10-11-8/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKeyKXGXSKBSZRSBAL-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.68
Rot. Bonds2

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

2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid (PubChem CID 83912870) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
PubChem CID83912870
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
SMILESO=C(O)CC1CCc2[nH]nc(Br)c21
InChIInChI=1S/C8H9BrN2O2/c9-8-7-4(3-6(12)13)1-2-5(7)10-11-8/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKeyKXGXSKBSZRSBAL-UHFFFAOYSA-N
XLogP1.68
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83858867
2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
CID 71185034
2-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
CID 71185055
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861625
2-[3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid
CID 83861629
2-(3-Cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 89350704
4-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}butanoic acid
CID 82401217
2-(3-Ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid
CID 82401229
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}propanoic acid
CID 82408991
2-(3-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid
CID 82409108
2-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 82414343
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}butanoic acid
CID 83858872

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid (CID 83912870) is 2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid is O=C(O)CC1CCc2[nH]nc(Br)c21.
What is the InChIKey of 2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The InChIKey is KXGXSKBSZRSBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c9-8-7-4(3-6(12)13)1-2-5(7)10-11-8/h4H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid?
2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid has a molecular weight of 245.08 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 83912870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).