2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid

C8H9BrN2O3 — CID 83913357

IUPAC2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid
SMILESO=C(O)CC1(O)CCc2[nH]nc(Br)c21
InChIInChI=1S/C8H9BrN2O3/c9-7-6-4(10-11-7)1-2-8(6,14)3-5(12)13/h14H,1-3H2,(H,10,11)(H,12,13)
InChIKeySFJFVIFOOBDNMY-UHFFFAOYSA-N
MW261.07 g/mol
LogP0.78
Rot. Bonds2

About 2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid

2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid (PubChem CID 83913357) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid
PubChem CID83913357
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid
SMILESO=C(O)CC1(O)CCc2[nH]nc(Br)c21
InChIInChI=1S/C8H9BrN2O3/c9-7-6-4(10-11-7)1-2-8(6,14)3-5(12)13/h14H,1-3H2,(H,10,11)(H,12,13)
InChIKeySFJFVIFOOBDNMY-UHFFFAOYSA-N
XLogP0.78
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid
CID 83906643
4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83906644
2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83907955
3-Bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83911599
2-(3-Bromo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83912870
3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83912946
2-[4-(aminomethyl)-3-bromo-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
CID 83913791
2-(3-Bromo-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83913831
2-(3-Bromo-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83913832
2-(3-Bromo-4-hydroxy-1,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 83913833
2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid
CID 112715477
2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 112716465

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid (CID 83913357) is 2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid is O=C(O)CC1(O)CCc2[nH]nc(Br)c21.
What is the InChIKey of 2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The InChIKey is SFJFVIFOOBDNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c9-7-6-4(10-11-7)1-2-8(6,14)3-5(12)13/h14H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid?
2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid has a molecular weight of 261.07 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 83913357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).