6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C13H16N4O3 — CID 91919204

IUPAC6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCC3CCCO3)cc2c(=O)[nH]1
InChIInChI=1S/C13H16N4O3/c1-8-7-17-11(13(19)15-8)5-10(16-17)12(18)14-6-9-3-2-4-20-9/h5,7,9H,2-4,6H2,1H3,(H,14,18)(H,15,19)
InChIKeyDNTDFAMQXYPOJX-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.24
Rot. Bonds3

About 6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91919204) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91919204
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCC3CCCO3)cc2c(=O)[nH]1
InChIInChI=1S/C13H16N4O3/c1-8-7-17-11(13(19)15-8)5-10(16-17)12(18)14-6-9-3-2-4-20-9/h5,7,9H,2-4,6H2,1H3,(H,14,18)(H,15,19)
InChIKeyDNTDFAMQXYPOJX-UHFFFAOYSA-N
XLogP0.24
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91919204) is 6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCC3CCCO3)cc2c(=O)[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is DNTDFAMQXYPOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-7-17-11(13(19)15-8)5-10(16-17)12(18)14-6-9-3-2-4-20-9/h5,7,9H,2-4,6H2,1H3,(H,14,18)(H,15,19).
What are the key properties of 6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91919204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).