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

C9H12N2O3 — CID 112715477

IUPAC2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid
SMILESCC1Cc2[nH]ncc2C1(O)CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-2-7-6(4-10-11-7)9(5,14)3-8(12)13/h4-5,14H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyROJGGFAQFRHKOC-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.26
Rot. Bonds2

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

2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid (PubChem CID 112715477) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid
PubChem CID112715477
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid
SMILESCC1Cc2[nH]ncc2C1(O)CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-2-7-6(4-10-11-7)9(5,14)3-8(12)13/h4-5,14H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyROJGGFAQFRHKOC-UHFFFAOYSA-N
XLogP0.26
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid
CID 82406803
2-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 82414343
2-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid
CID 82414344
2H,4H,5H,6H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 82417189
5-Methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid
CID 83905522
4-hydroxy-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83905660
2-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazol-4-yl)propanoic acid
CID 83906434
2-(4-hydroxy-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid
CID 83906643
2-[4-(aminomethyl)-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetic acid
CID 83907779
2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83907955
2-(4-Hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83907957
2-(4-Hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 83907958

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid (CID 112715477) is 2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid is CC1Cc2[nH]ncc2C1(O)CC(=O)O.
What is the InChIKey of 2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid?
The InChIKey is ROJGGFAQFRHKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-2-7-6(4-10-11-7)9(5,14)3-8(12)13/h4-5,14H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid?
2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 112715477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).