3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

C15H14N4O4S — CID 100728230

IUPAC3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CC[C@@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C15H14N4O4S/c20-13-8-23-15(22)19(13)9-3-4-18(7-9)14(21)11-6-10(16-17-11)12-2-1-5-24-12/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)/t9-/m1/s1
InChIKeyBYIDDEQTKNFTLM-SECBINFHSA-N
MW346.37 g/mol
LogP1.33
Rot. Bonds3

About 3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 100728230) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID100728230
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CC[C@@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C15H14N4O4S/c20-13-8-23-15(22)19(13)9-3-4-18(7-9)14(21)11-6-10(16-17-11)12-2-1-5-24-12/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)/t9-/m1/s1
InChIKeyBYIDDEQTKNFTLM-SECBINFHSA-N
XLogP1.33
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156684
3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159966
1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355098
[4-(1-aminoethyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 119516719
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 70848747
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 120817636
3-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727966
3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726928
N-benzyl-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 78887605
2-methyl-4-propan-2-yl-5-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 90541104
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540055
[4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119661567

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 100728230) is 3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is O=C(c1cc(-c2cccs2)[nH]n1)N1CC[C@@H](N2C(=O)COC2=O)C1.
What is the InChIKey of 3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is BYIDDEQTKNFTLM-SECBINFHSA-N. The full InChI is InChI=1S/C15H14N4O4S/c20-13-8-23-15(22)19(13)9-3-4-18(7-9)14(21)11-6-10(16-17-11)12-2-1-5-24-12/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)/t9-/m1/s1.
What are the key properties of 3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 346.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 100728230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).