5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C14H17N5O2S — CID 146046278

IUPAC5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ncsc1CCNC(=O)c1cc2n(n1)CCN(C)C2=O
InChIInChI=1S/C14H17N5O2S/c1-9-12(22-8-16-9)3-4-15-13(20)10-7-11-14(21)18(2)5-6-19(11)17-10/h7-8H,3-6H2,1-2H3,(H,15,20)
InChIKeyZDYGTEVKXIXLOD-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.71
Rot. Bonds4

About 5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 146046278) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID146046278
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ncsc1CCNC(=O)c1cc2n(n1)CCN(C)C2=O
InChIInChI=1S/C14H17N5O2S/c1-9-12(22-8-16-9)3-4-15-13(20)10-7-11-14(21)18(2)5-6-19(11)17-10/h7-8H,3-6H2,1-2H3,(H,15,20)
InChIKeyZDYGTEVKXIXLOD-UHFFFAOYSA-N
XLogP0.71
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 146046278) is 5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1ncsc1CCNC(=O)c1cc2n(n1)CCN(C)C2=O.
What is the InChIKey of 5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is ZDYGTEVKXIXLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-9-12(22-8-16-9)3-4-15-13(20)10-7-11-14(21)18(2)5-6-19(11)17-10/h7-8H,3-6H2,1-2H3,(H,15,20).
What are the key properties of 5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 146046278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).