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

C8H10N2O3 — CID 83863536

IUPAC2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid
SMILESO=C(O)Cc1n[nH]c2c1C(O)CC2
InChIInChI=1S/C8H10N2O3/c11-6-2-1-4-8(6)5(10-9-4)3-7(12)13/h6,11H,1-3H2,(H,9,10)(H,12,13)
InChIKeyBHMYTBUZIJSQKA-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.02
Rot. Bonds2

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

2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid (PubChem CID 83863536) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid
PubChem CID83863536
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid
SMILESO=C(O)Cc1n[nH]c2c1C(O)CC2
InChIInChI=1S/C8H10N2O3/c11-6-2-1-4-8(6)5(10-9-4)3-7(12)13/h6,11H,1-3H2,(H,9,10)(H,12,13)
InChIKeyBHMYTBUZIJSQKA-UHFFFAOYSA-N
XLogP0.02
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83858867
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-2,2-difluoroacetic acid
CID 165751368
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}propanoic acid
CID 82408991
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}butanoic acid
CID 83858872
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-2-methylpropanoic acid
CID 83858874
2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid
CID 83863531
4-Hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 83863534
2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 83863576
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
4-hydroxy-3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83909536
2-(4-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid
CID 112711206

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid (CID 83863536) is 2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid is O=C(O)Cc1n[nH]c2c1C(O)CC2.
What is the InChIKey of 2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid?
The InChIKey is BHMYTBUZIJSQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-6-2-1-4-8(6)5(10-9-4)3-7(12)13/h6,11H,1-3H2,(H,9,10)(H,12,13).
What are the key properties of 2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid?
2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid is sourced from PubChem (CID 83863536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).