7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C13H12N4O — CID 70392839

IUPAC7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESNC(=O)c1cc(C2C=CCC=C2)n2nccc2n1
InChIInChI=1S/C13H12N4O/c14-13(18)10-8-11(9-4-2-1-3-5-9)17-12(16-10)6-7-15-17/h2-9H,1H2,(H2,14,18)
InChIKeyYUZGJCUTPFSQGK-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.43
Rot. Bonds2

About 7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 70392839) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID70392839
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESNC(=O)c1cc(C2C=CCC=C2)n2nccc2n1
InChIInChI=1S/C13H12N4O/c14-13(18)10-8-11(9-4-2-1-3-5-9)17-12(16-10)6-7-15-17/h2-9H,1H2,(H2,14,18)
InChIKeyYUZGJCUTPFSQGK-UHFFFAOYSA-N
XLogP1.43
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
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 7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 70392839) is 7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is NC(=O)c1cc(C2C=CCC=C2)n2nccc2n1.
What is the InChIKey of 7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is YUZGJCUTPFSQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-13(18)10-8-11(9-4-2-1-3-5-9)17-12(16-10)6-7-15-17/h2-9H,1H2,(H2,14,18).
What are the key properties of 7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexa-2,5-dien-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 70392839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).