3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C15H18N6O2S — CID 126948219

IUPAC3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CCC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C15H18N6O2S/c22-13-2-1-5-20(13)12-8-17-21(10-12)11-3-6-19(9-11)15(23)18-14-16-4-7-24-14/h4,7-8,10-11H,1-3,5-6,9H2,(H,16,18,23)
InChIKeyIYNHCSPCZCXIKX-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.95
Rot. Bonds3

About 3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 126948219) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID126948219
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CCC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C15H18N6O2S/c22-13-2-1-5-20(13)12-8-17-21(10-12)11-3-6-19(9-11)15(23)18-14-16-4-7-24-14/h4,7-8,10-11H,1-3,5-6,9H2,(H,16,18,23)
InChIKeyIYNHCSPCZCXIKX-UHFFFAOYSA-N
XLogP1.95
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[1-(4-bromothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948496
1-[1-[1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948144
1-[1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945205
1-[1-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948156
1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948200
1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945193
1-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948262
1-[1-[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948191
1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945573
1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948459
1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948247
1-[1-[1-(1-methylindazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948210

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 126948219) is 3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1nccs1)N1CCC(n2cc(N3CCCC3=O)cn2)C1.
What is the InChIKey of 3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is IYNHCSPCZCXIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c22-13-2-1-5-20(13)12-8-17-21(10-12)11-3-6-19(9-11)15(23)18-14-16-4-7-24-14/h4,7-8,10-11H,1-3,5-6,9H2,(H,16,18,23).
What are the key properties of 3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126948219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).