carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate

C8H6N4O3 — CID 140778817

IUPACcarbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESNC(=O)OC(=O)c1cc2ncccn2n1
InChIInChI=1S/C8H6N4O3/c9-8(14)15-7(13)5-4-6-10-2-1-3-12(6)11-5/h1-4H,(H2,9,14)
InChIKeyIRGLGARSNJXRGM-UHFFFAOYSA-N
MW206.16 g/mol
LogP-0.04
Rot. Bonds1

About carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate

carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 140778817) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namecarbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID140778817
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Namecarbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESNC(=O)OC(=O)c1cc2ncccn2n1
InChIInChI=1S/C8H6N4O3/c9-8(14)15-7(13)5-4-6-10-2-1-3-12(6)11-5/h1-4H,(H2,9,14)
InChIKeyIRGLGARSNJXRGM-UHFFFAOYSA-N
XLogP-0.04
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 140778817) is carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate is NC(=O)OC(=O)c1cc2ncccn2n1.
What is the InChIKey of carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is IRGLGARSNJXRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c9-8(14)15-7(13)5-4-6-10-2-1-3-12(6)11-5/h1-4H,(H2,9,14).
What are the key properties of carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate?
carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 206.16 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 140778817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).