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

C9H12N2O3 — CID 83863531

IUPAC2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid
SMILESCn1nc(CC(=O)O)c2c1CCC2O
InChIInChI=1S/C9H12N2O3/c1-11-6-2-3-7(12)9(6)5(10-11)4-8(13)14/h7,12H,2-4H2,1H3,(H,13,14)
InChIKeyIDGMGLJQVFLFAL-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.03
Rot. Bonds2

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

2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid (PubChem CID 83863531) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid
PubChem CID83863531
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid
SMILESCn1nc(CC(=O)O)c2c1CCC2O
InChIInChI=1S/C9H12N2O3/c1-11-6-2-3-7(12)9(6)5(10-11)4-8(13)14/h7,12H,2-4H2,1H3,(H,13,14)
InChIKeyIDGMGLJQVFLFAL-UHFFFAOYSA-N
XLogP0.03
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-2-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 165493434
2,2-difluoro-2-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 165874559
5-(2-Hydroxypropyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 12826131
3-(2-Hydroxypropyl)-1,5-dimethylpyrazole-4-carboxylic acid
CID 12826138
ethyl 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 83854577
2-{1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83862236
2-(2-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid
CID 83862497
4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 83863529
2-(4-Hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid
CID 83863536
2-(4-Hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid
CID 83863572
2-(4-Hydroxy-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid
CID 83863690
4-Hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
CID 83907961

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid (CID 83863531) is 2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid is Cn1nc(CC(=O)O)c2c1CCC2O.
What is the InChIKey of 2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid?
The InChIKey is IDGMGLJQVFLFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-6-2-3-7(12)9(6)5(10-11)4-8(13)14/h7,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid?
2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid is sourced from PubChem (CID 83863531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).