ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C15H12ClN3O2 — CID 103200618

IUPACethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nccc(-c3cccc(Cl)c3)n2n1
InChIInChI=1S/C15H12ClN3O2/c1-2-21-15(20)12-9-14-17-7-6-13(19(14)18-12)10-4-3-5-11(16)8-10/h3-9H,2H2,1H3
InChIKeyDJPJBKCLXXCWCH-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.23
Rot. Bonds3

About ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 103200618) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID103200618
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Nameethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nccc(-c3cccc(Cl)c3)n2n1
InChIInChI=1S/C15H12ClN3O2/c1-2-21-15(20)12-9-14-17-7-6-13(19(14)18-12)10-4-3-5-11(16)8-10/h3-9H,2H2,1H3
InChIKeyDJPJBKCLXXCWCH-UHFFFAOYSA-N
XLogP3.23
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200581
ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200564
ethyl 7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 24775846
ethyl 7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200619
ethyl 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 58345406
7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200521
5-ethoxycarbonyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 34179423
ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058272
ethyl 3-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10041419
ethyl 3-(3-chlorophenyl)-7-(4-cyanobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4104333
ethyl 5-(3,5-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 75176283
2-[7-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201076

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 103200618) is ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nccc(-c3cccc(Cl)c3)n2n1.
What is the InChIKey of ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is DJPJBKCLXXCWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-2-21-15(20)12-9-14-17-7-6-13(19(14)18-12)10-4-3-5-11(16)8-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 301.73 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 103200618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).