4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide

C13H14N6O3 — CID 91629162

IUPAC4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cnc3ccnn3c2)C(=O)C1=O
InChIInChI=1S/C13H14N6O3/c1-2-17-5-6-18(12(21)11(17)20)13(22)16-9-7-14-10-3-4-15-19(10)8-9/h3-4,7-8H,2,5-6H2,1H3,(H,16,22)
InChIKeyAXPIHADDEUJZMS-UHFFFAOYSA-N
MW302.29 g/mol
LogP-0.05
Rot. Bonds2

About 4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide

4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide (PubChem CID 91629162) has the molecular formula C13H14N6O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide
PubChem CID91629162
Molecular FormulaC13H14N6O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2cnc3ccnn3c2)C(=O)C1=O
InChIInChI=1S/C13H14N6O3/c1-2-17-5-6-18(12(21)11(17)20)13(22)16-9-7-14-10-3-4-15-19(10)8-9/h3-4,7-8H,2,5-6H2,1H3,(H,16,22)
InChIKeyAXPIHADDEUJZMS-UHFFFAOYSA-N
XLogP-0.05
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine
CID 58611206
N-pyrazolo[1,5-a]pyrimidin-3-ylacetamide
CID 172825317
N-pyrazolo[1,5-a]pyrimidin-3-ylpyrrolidine-1-carboxamide
CID 176141987
5-Piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142005
5-Morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142009
N-(pyrazolo[1,5-a]pyrimidin-6-yl)pivalamide
CID 91629099
N-(2-((2-(1H-pyrazol-1-yl)pyrimidin-5-yl)amino)-2-oxoethyl)butyramide
CID 73167993
1-methyl-6-oxo-N-{pyrazolo[1,5-a]pyrimidin-6-yl}-1,6-dihydropyridazine-3-carboxamide
CID 91629096
Ethyl pyrazolo[1,5-a]pyrimidin-6-ylcarbamate
CID 91629121
2-(N-methylmethanesulfonamido)-N-{pyrazolo[1,5-a]pyrimidin-6-yl}acetamide
CID 91629131
3-(methylsulfonyl)-2-oxo-N-(pyrazolo[1,5-a]pyrimidin-6-yl)imidazolidine-1-carboxamide
CID 91629163
1-(4-Pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one
CID 110874046

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide?
The IUPAC name of 4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide (CID 91629162) is 4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide is CCN1CCN(C(=O)Nc2cnc3ccnn3c2)C(=O)C1=O.
What is the InChIKey of 4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide?
The InChIKey is AXPIHADDEUJZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O3/c1-2-17-5-6-18(12(21)11(17)20)13(22)16-9-7-14-10-3-4-15-19(10)8-9/h3-4,7-8H,2,5-6H2,1H3,(H,16,22).
What are the key properties of 4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide?
4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide has a molecular weight of 302.29 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dioxo-N-pyrazolo[1,5-a]pyrimidin-6-ylpiperazine-1-carboxamide is sourced from PubChem (CID 91629162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).