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

C10H14N2O3 — CID 112716467

IUPAC2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCC1Cc2nn(C)cc2C1(O)CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-6-3-8-7(5-12(2)11-8)10(6,15)4-9(13)14/h5-6,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyFVYUMLFFOUMVAD-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.27
Rot. Bonds2

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

2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid (PubChem CID 112716467) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
PubChem CID112716467
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCC1Cc2nn(C)cc2C1(O)CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-6-3-8-7(5-12(2)11-8)10(6,15)4-9(13)14/h5-6,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyFVYUMLFFOUMVAD-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid (CID 112716467) is 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid is CC1Cc2nn(C)cc2C1(O)CC(=O)O.
What is the InChIKey of 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The InChIKey is FVYUMLFFOUMVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-3-8-7(5-12(2)11-8)10(6,15)4-9(13)14/h5-6,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid?
2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,5-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 112716467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).