ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C15H14N4O2 — CID 19916055

IUPACethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nccc(-c3cccc(N)c3)n2n1
InChIInChI=1S/C15H14N4O2/c1-2-21-15(20)12-9-14-17-7-6-13(19(14)18-12)10-4-3-5-11(16)8-10/h3-9H,2,16H2,1H3
InChIKeyCLOVVVJVLCYVNW-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.16
Rot. Bonds3

About ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 19916055) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID19916055
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Nameethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nccc(-c3cccc(N)c3)n2n1
InChIInChI=1S/C15H14N4O2/c1-2-21-15(20)12-9-14-17-7-6-13(19(14)18-12)10-4-3-5-11(16)8-10/h3-9H,2,16H2,1H3
InChIKeyCLOVVVJVLCYVNW-UHFFFAOYSA-N
XLogP2.16
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 19916055) is ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nccc(-c3cccc(N)c3)n2n1.
What is the InChIKey of ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is CLOVVVJVLCYVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-21-15(20)12-9-14-17-7-6-13(19(14)18-12)10-4-3-5-11(16)8-10/h3-9H,2,16H2,1H3.
What are the key properties of ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 19916055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).