ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate

C10H9Cl2N3O2 — CID 162686171

IUPACethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nn2c(Cl)cc(Cl)nc2c1C
InChIInChI=1S/C10H9Cl2N3O2/c1-3-17-10(16)8-5(2)9-13-6(11)4-7(12)15(9)14-8/h4H,3H2,1-2H3
InChIKeyMESAWDLAGAHHFM-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.52
Rot. Bonds2

About ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 162686171) has the molecular formula C10H9Cl2N3O2 and a molecular weight of 274.11 g/mol. Its IUPAC name is ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID162686171
Molecular FormulaC10H9Cl2N3O2
Molecular Weight274.11 g/mol
Exact Mass273.01
IUPAC Nameethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nn2c(Cl)cc(Cl)nc2c1C
InChIInChI=1S/C10H9Cl2N3O2/c1-3-17-10(16)8-5(2)9-13-6(11)4-7(12)15(9)14-8/h4H,3H2,1-2H3
InChIKeyMESAWDLAGAHHFM-UHFFFAOYSA-N
XLogP2.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 162686090
ethyl 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 19989216
ethyl 1-(2,4-dichlorophenyl)-5-ethyl-4-methylpyrazole-3-carboxylate
CID 10568187
ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 176566248
ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate
CID 142640195
ethyl 3,5-dichloropyrazine-2-carboxylate
CID 53419466
diethyl 3,4,5-trichloropyridine-2,6-dicarboxylate;ethane
CID 145166855
ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514655
ethyl 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 14850356
ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
CID 122705836
ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate
CID 24822410
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614

Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 162686171) is ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1nn2c(Cl)cc(Cl)nc2c1C.
What is the InChIKey of ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is MESAWDLAGAHHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O2/c1-3-17-10(16)8-5(2)9-13-6(11)4-7(12)15(9)14-8/h4H,3H2,1-2H3.
What are the key properties of ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 274.11 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 162686171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).