5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide

C14H17N5O3S2 — CID 21008557

IUPAC5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1nnc(NC(=O)c2cc(C3CC3)n(C3CCS(=O)(=O)C3)n2)s1
InChIInChI=1S/C14H17N5O3S2/c1-8-16-17-14(23-8)15-13(20)11-6-12(9-2-3-9)19(18-11)10-4-5-24(21,22)7-10/h6,9-10H,2-5,7H2,1H3,(H,15,17,20)
InChIKeyJFYQESZLQVDZBK-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.53
Rot. Bonds4

About 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide

5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 21008557) has the molecular formula C14H17N5O3S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide
PubChem CID21008557
Molecular FormulaC14H17N5O3S2
Molecular Weight367.46 g/mol
Exact Mass367.08
IUPAC Name5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1nnc(NC(=O)c2cc(C3CC3)n(C3CCS(=O)(=O)C3)n2)s1
InChIInChI=1S/C14H17N5O3S2/c1-8-16-17-14(23-8)15-13(20)11-6-12(9-2-3-9)19(18-11)10-4-5-24(21,22)7-10/h6,9-10H,2-5,7H2,1H3,(H,15,17,20)
InChIKeyJFYQESZLQVDZBK-UHFFFAOYSA-N
XLogP1.53
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 44065931
2-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 44065932
5-cyclopropyl-N-(4,5-dimethylthiazol-2-yl)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazole-3-carboxamide
CID 16849791
1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1H-pyrazole-3-carboxamide
CID 44044515
1-tert-butyl-5-cyclopropyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
CID 56075780
1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
CID 60507405
1H-Pyrazole-5-carboxamide, 3-(1,1-dimethylethyl)-N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-YL]-1-methyl-
CID 1455367
1-(11-Dioxo-1lambda6-thiolan-3-YL)-N-(4-methyl-13-thiazol-2-YL)-5-(propan-2-YL)-1H-pyrazole-3-carboxamide
CID 20997416
N-(4,5-Dimethyl-1,3-thiazol-2-YL)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-5-isopropyl-1H-pyrazole-3-carboxamide
CID 20997417
5-cyclopropyl-1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 21008544
2-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide
CID 39092399
1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[(2E)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 17015951

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide (CID 21008557) is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide is Cc1nnc(NC(=O)c2cc(C3CC3)n(C3CCS(=O)(=O)C3)n2)s1.
What is the InChIKey of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is JFYQESZLQVDZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S2/c1-8-16-17-14(23-8)15-13(20)11-6-12(9-2-3-9)19(18-11)10-4-5-24(21,22)7-10/h6,9-10H,2-5,7H2,1H3,(H,15,17,20).
What are the key properties of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide?
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 21008557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).