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

C10H14N2O3 — CID 112716465

IUPAC2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCc1[nH]nc2c1C(O)(CC(=O)O)C(C)C2
InChIInChI=1S/C10H14N2O3/c1-5-3-7-9(6(2)11-12-7)10(5,15)4-8(13)14/h5,15H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyVJTKNQCGHOMDMU-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.57
Rot. Bonds2

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

2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid (PubChem CID 112716465) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid
PubChem CID112716465
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCc1[nH]nc2c1C(O)(CC(=O)O)C(C)C2
InChIInChI=1S/C10H14N2O3/c1-5-3-7-9(6(2)11-12-7)10(5,15)4-8(13)14/h5,15H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyVJTKNQCGHOMDMU-UHFFFAOYSA-N
XLogP0.57
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid
CID 83861629
4-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}butanoic acid
CID 82401217
3-Propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid
CID 82401226
2-(3-Ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid
CID 82401229
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}propanoic acid
CID 82408991
2-(3-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid
CID 82409108
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}butanoic acid
CID 83858872
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-3-methylbutanoic acid
CID 83858877
3-Ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861612
2-(3-Ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861615
3-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861635
2-(3-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861638

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid (CID 112716465) is 2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid is Cc1[nH]nc2c1C(O)(CC(=O)O)C(C)C2.
What is the InChIKey of 2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The InChIKey is VJTKNQCGHOMDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-5-3-7-9(6(2)11-12-7)10(5,15)4-8(13)14/h5,15H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid?
2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 112716465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).