5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

C14H16N4O3S2 — CID 21008544

IUPAC5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc(C2CC2)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C14H16N4O3S2/c19-13(16-14-15-4-5-22-14)11-7-12(9-1-2-9)18(17-11)10-3-6-23(20,21)8-10/h4-5,7,9-10H,1-3,6,8H2,(H,15,16,19)
InChIKeyGYMGRBGZZQXCFO-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.83
Rot. Bonds4

About 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 21008544) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID21008544
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC Name5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc(C2CC2)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C14H16N4O3S2/c19-13(16-14-15-4-5-22-14)11-7-12(9-1-2-9)18(17-11)10-3-6-23(20,21)8-10/h4-5,7,9-10H,1-3,6,8H2,(H,15,16,19)
InChIKeyGYMGRBGZZQXCFO-UHFFFAOYSA-N
XLogP1.83
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 21008544) is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is O=C(Nc1nccs1)c1cc(C2CC2)n(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is GYMGRBGZZQXCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c19-13(16-14-15-4-5-22-14)11-7-12(9-1-2-9)18(17-11)10-3-6-23(20,21)8-10/h4-5,7,9-10H,1-3,6,8H2,(H,15,16,19).
What are the key properties of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 21008544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).