ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C15H11Cl2FN4O2 — CID 134280620

IUPACethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(Cl)cc(Nc3c(F)cccc3Cl)n2n1
InChIInChI=1S/C15H11Cl2FN4O2/c1-2-24-15(23)10-6-12-19-11(17)7-13(22(12)21-10)20-14-8(16)4-3-5-9(14)18/h3-7,20H,2H2,1H3
InChIKeyUTLDLLIHNWLACR-UHFFFAOYSA-N
MW369.18 g/mol
LogP4.10
Rot. Bonds4

About ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 134280620) has the molecular formula C15H11Cl2FN4O2 and a molecular weight of 369.18 g/mol. Its IUPAC name is ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID134280620
Molecular FormulaC15H11Cl2FN4O2
Molecular Weight369.18 g/mol
Exact Mass368.02
IUPAC Nameethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(Cl)cc(Nc3c(F)cccc3Cl)n2n1
InChIInChI=1S/C15H11Cl2FN4O2/c1-2-24-15(23)10-6-12-19-11(17)7-13(22(12)21-10)20-14-8(16)4-3-5-9(14)18/h3-7,20H,2H2,1H3
InChIKeyUTLDLLIHNWLACR-UHFFFAOYSA-N
XLogP4.10
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 134280620) is ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(Cl)cc(Nc3c(F)cccc3Cl)n2n1.
What is the InChIKey of ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is UTLDLLIHNWLACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN4O2/c1-2-24-15(23)10-6-12-19-11(17)7-13(22(12)21-10)20-14-8(16)4-3-5-9(14)18/h3-7,20H,2H2,1H3.
What are the key properties of ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 369.18 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 134280620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).