(2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate

C15H17N3O3S — CID 38249782

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)N3CCCC3)n[nH]2)s1
InChIInChI=1S/C15H17N3O3S/c1-10-4-5-13(22-10)11-8-12(17-16-11)15(20)21-9-14(19)18-6-2-3-7-18/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyWPTYPRCCMSBRSZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.23
Rot. Bonds4

About (2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate (PubChem CID 38249782) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate
PubChem CID38249782
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)N3CCCC3)n[nH]2)s1
InChIInChI=1S/C15H17N3O3S/c1-10-4-5-13(22-10)11-8-12(17-16-11)15(20)21-9-14(19)18-6-2-3-7-18/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyWPTYPRCCMSBRSZ-UHFFFAOYSA-N
XLogP2.23
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate (CID 38249782) is (2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate is Cc1ccc(-c2cc(C(=O)OCC(=O)N3CCCC3)n[nH]2)s1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate?
The InChIKey is WPTYPRCCMSBRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-4-5-13(22-10)11-8-12(17-16-11)15(20)21-9-14(19)18-6-2-3-7-18/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17).
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate has a molecular weight of 319.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 38249782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).