ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate

C13H16N4O2 — CID 11777381

IUPACethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccnn2c1/C=C/N(C)C
InChIInChI=1S/C13H16N4O2/c1-4-19-13(18)10-9-14-12-5-7-15-17(12)11(10)6-8-16(2)3/h5-9H,4H2,1-3H3/b8-6+
InChIKeyYNSCSRJISOVTFF-SOFGYWHQSA-N
MW260.30 g/mol
LogP1.44
Rot. Bonds4

About ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 11777381) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID11777381
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccnn2c1/C=C/N(C)C
InChIInChI=1S/C13H16N4O2/c1-4-19-13(18)10-9-14-12-5-7-15-17(12)11(10)6-8-16(2)3/h5-9H,4H2,1-3H3/b8-6+
InChIKeyYNSCSRJISOVTFF-SOFGYWHQSA-N
XLogP1.44
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 11777381) is ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2ccnn2c1/C=C/N(C)C.
What is the InChIKey of ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is YNSCSRJISOVTFF-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-4-19-13(18)10-9-14-12-5-7-15-17(12)11(10)6-8-16(2)3/h5-9H,4H2,1-3H3/b8-6+.
What are the key properties of ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 11777381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).