5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C11H12N4O2 — CID 110485754

IUPAC5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=CCNC(=O)c1c[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C11H12N4O2/c1-3-4-12-11(17)8-6-13-15-9(16)5-7(2)14-10(8)15/h3,5-6,13H,1,4H2,2H3,(H,12,17)
InChIKeySPISSWFEKPPWBJ-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.25
Rot. Bonds3

About 5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110485754) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110485754
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC=CCNC(=O)c1c[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C11H12N4O2/c1-3-4-12-11(17)8-6-13-15-9(16)5-7(2)14-10(8)15/h3,5-6,13H,1,4H2,2H3,(H,12,17)
InChIKeySPISSWFEKPPWBJ-UHFFFAOYSA-N
XLogP0.25
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110485754) is 5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=CCNC(=O)c1c[nH]n2c(=O)cc(C)nc12.
What is the InChIKey of 5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SPISSWFEKPPWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-3-4-12-11(17)8-6-13-15-9(16)5-7(2)14-10(8)15/h3,5-6,13H,1,4H2,2H3,(H,12,17).
What are the key properties of 5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110485754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).