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

C15H18N2O2S — CID 61334937

IUPAC1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid
SMILESCCc1ccc(-c2nn(C3CCCC3)cc2C(=O)O)s1
InChIInChI=1S/C15H18N2O2S/c1-2-11-7-8-13(20-11)14-12(15(18)19)9-17(16-14)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,18,19)
InChIKeySSTBYALBLJTFRF-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.99
Rot. Bonds4

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

1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid (PubChem CID 61334937) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid
PubChem CID61334937
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid
SMILESCCc1ccc(-c2nn(C3CCCC3)cc2C(=O)O)s1
InChIInChI=1S/C15H18N2O2S/c1-2-11-7-8-13(20-11)14-12(15(18)19)9-17(16-14)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,18,19)
InChIKeySSTBYALBLJTFRF-UHFFFAOYSA-N
XLogP3.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid (CID 61334937) is 1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid is CCc1ccc(-c2nn(C3CCCC3)cc2C(=O)O)s1.
What is the InChIKey of 1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is SSTBYALBLJTFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-11-7-8-13(20-11)14-12(15(18)19)9-17(16-14)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,18,19).
What are the key properties of 1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid?
1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 61334937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).