ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C15H14N4O2 — CID 649053

IUPACethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1N
InChIInChI=1S/C15H14N4O2/c1-2-21-15(20)12-8-17-14-11(9-18-19(14)13(12)16)10-6-4-3-5-7-10/h3-9H,2,16H2,1H3
InChIKeyJWQRMNHUGKWBQW-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.16
Rot. Bonds3

About ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 649053) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID649053
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Nameethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1N
InChIInChI=1S/C15H14N4O2/c1-2-21-15(20)12-8-17-14-11(9-18-19(14)13(12)16)10-6-4-3-5-7-10/h3-9H,2,16H2,1H3
InChIKeyJWQRMNHUGKWBQW-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 649053) is ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1N.
What is the InChIKey of ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is JWQRMNHUGKWBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-21-15(20)12-8-17-14-11(9-18-19(14)13(12)16)10-6-4-3-5-7-10/h3-9H,2,16H2,1H3.
What are the key properties of ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-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-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 649053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).