ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C10H11ClN4O2 — CID 137450373

IUPACethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(NC)cc(Cl)nc12
InChIInChI=1S/C10H11ClN4O2/c1-3-17-10(16)6-5-13-15-8(12-2)4-7(11)14-9(6)15/h4-5,12H,3H2,1-2H3
InChIKeyWIDWIMDVSZVNOD-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.60
Rot. Bonds3

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

ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137450373) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137450373
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Nameethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(NC)cc(Cl)nc12
InChIInChI=1S/C10H11ClN4O2/c1-3-17-10(16)6-5-13-15-8(12-2)4-7(11)14-9(6)15/h4-5,12H,3H2,1-2H3
InChIKeyWIDWIMDVSZVNOD-UHFFFAOYSA-N
XLogP1.60
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.60
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-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137450373) is ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(NC)cc(Cl)nc12.
What is the InChIKey of ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is WIDWIMDVSZVNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-3-17-10(16)6-5-13-15-8(12-2)4-7(11)14-9(6)15/h4-5,12H,3H2,1-2H3.
What are the key properties of ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 254.68 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137450373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).