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

C11H16N2O2 — CID 83861562

IUPAC2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCCc1nn(C)c2c1C(CC(=O)O)CC2
InChIInChI=1S/C11H16N2O2/c1-3-8-11-7(6-10(14)15)4-5-9(11)13(2)12-8/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyFNACLRDMYVKBOF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.49
Rot. Bonds3

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

2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid (PubChem CID 83861562) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
PubChem CID83861562
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCCc1nn(C)c2c1C(CC(=O)O)CC2
InChIInChI=1S/C11H16N2O2/c1-3-8-11-7(6-10(14)15)4-5-9(11)13(2)12-8/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyFNACLRDMYVKBOF-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 3157816
3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 1084875
2-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005992
3-[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrazol-1-yl]propanoic acid
CID 25323871
3-[1-(ethoxymethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-methylpropanoic acid
CID 121553718
3-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)propanoic acid
CID 50987850
4,4,4-trifluoro-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)butanoic acid
CID 63154984
2-Fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid
CID 81358709
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861572
3-[1-Methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]butanoic acid
CID 83957756
3-[1-Methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]pentanoic acid
CID 83957757
3-[1-Methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]hexanoic acid
CID 83957759

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid (CID 83861562) is 2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid is CCc1nn(C)c2c1C(CC(=O)O)CC2.
What is the InChIKey of 2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The InChIKey is FNACLRDMYVKBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-8-11-7(6-10(14)15)4-5-9(11)13(2)12-8/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid?
2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 83861562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).