2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid

C10H14N2O3 — CID 83909529

IUPAC2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid
SMILESCc1nn(C)c2c1C(O)(CC(=O)O)CC2
InChIInChI=1S/C10H14N2O3/c1-6-9-7(12(2)11-6)3-4-10(9,15)5-8(13)14/h15H,3-5H2,1-2H3,(H,13,14)
InChIKeyZYYKZNXZMLDFMR-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.34
Rot. Bonds2

About 2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid

2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid (PubChem CID 83909529) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid
PubChem CID83909529
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid
SMILESCc1nn(C)c2c1C(O)(CC(=O)O)CC2
InChIInChI=1S/C10H14N2O3/c1-6-9-7(12(2)11-6)3-4-10(9,15)5-8(13)14/h15H,3-5H2,1-2H3,(H,13,14)
InChIKeyZYYKZNXZMLDFMR-UHFFFAOYSA-N
XLogP0.34
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861572
3-hydroxy-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 82658088
3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861440
3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861558
2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861562
1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861585
2-(1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
CID 83861589
3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861592
2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861596
1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861599
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid (CID 83909529) is 2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid is Cc1nn(C)c2c1C(O)(CC(=O)O)CC2.
What is the InChIKey of 2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid?
The InChIKey is ZYYKZNXZMLDFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-9-7(12(2)11-6)3-4-10(9,15)5-8(13)14/h15H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid?
2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 83909529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).