1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid

C15H18N2O3 — CID 61264746

IUPAC1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid
SMILESCc1cc(-c2nn(C3CCCC3)cc2C(=O)O)c(C)o1
InChIInChI=1S/C15H18N2O3/c1-9-7-12(10(2)20-9)14-13(15(18)19)8-17(16-14)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,18,19)
InChIKeyDUHWRPSWNKRTIZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.57
Rot. Bonds3

About 1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid

1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid (PubChem CID 61264746) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid
PubChem CID61264746
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid
SMILESCc1cc(-c2nn(C3CCCC3)cc2C(=O)O)c(C)o1
InChIInChI=1S/C15H18N2O3/c1-9-7-12(10(2)20-9)14-13(15(18)19)8-17(16-14)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,18,19)
InChIKeyDUHWRPSWNKRTIZ-UHFFFAOYSA-N
XLogP3.57
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid (CID 61264746) is 1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid is Cc1cc(-c2nn(C3CCCC3)cc2C(=O)O)c(C)o1.
What is the InChIKey of 1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid?
The InChIKey is DUHWRPSWNKRTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-7-12(10(2)20-9)14-13(15(18)19)8-17(16-14)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid?
1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 61264746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).