1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid

C11H16N2O2 — CID 82611606

IUPAC1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCC2)nn1C
InChIInChI=1S/C11H16N2O2/c1-8-7-9(12-13(8)2)11(10(14)15)5-3-4-6-11/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyVQFNGPAITBYPPZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.62
Rot. Bonds2

About 1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid

1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 82611606) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid
PubChem CID82611606
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCC2)nn1C
InChIInChI=1S/C11H16N2O2/c1-8-7-9(12-13(8)2)11(10(14)15)5-3-4-6-11/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyVQFNGPAITBYPPZ-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid (CID 82611606) is 1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CCCC2)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is VQFNGPAITBYPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-9(12-13(8)2)11(10(14)15)5-3-4-6-11/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid?
1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82611606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).