ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate

C21H16ClN3O2 — CID 164946413

IUPACethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C21H16ClN3O2/c1-2-27-21(26)18-12-19(15-8-10-16(22)11-9-15)25-20(23-18)13-17(24-25)14-6-4-3-5-7-14/h3-13H,2H2,1H3
InChIKeyYNZRNLRPFWJDTL-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.89
Rot. Bonds4

About ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate

ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 164946413) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID164946413
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Nameethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C21H16ClN3O2/c1-2-27-21(26)18-12-19(15-8-10-16(22)11-9-15)25-20(23-18)13-17(24-25)14-6-4-3-5-7-14/h3-13H,2H2,1H3
InChIKeyYNZRNLRPFWJDTL-UHFFFAOYSA-N
XLogP4.89
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Chloro-5-methyl-imidazo[1,5-b]pyridazin-7-yl)pentyl benzoate
CID 455563
Methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 771929
Ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 777816
Ethyl 3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 1938662
Methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 753813
Ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2088731
Methyl 2-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-A]pyrimidin-6-YL]propanamido}benzoate
CID 16008408
Ethyl 3-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-A]pyrimidin-6-YL]propanamido}benzoate
CID 16008410
3-Butan-2-yl-1-(4-chlorophenyl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 155525414
Methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 772558
7-Methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid isopropyl ester
CID 807563
Ethyl 2-(4-chlorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 7343169

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 164946413) is ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(-c2ccc(Cl)cc2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is YNZRNLRPFWJDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-2-27-21(26)18-12-19(15-8-10-16(22)11-9-15)25-20(23-18)13-17(24-25)14-6-4-3-5-7-14/h3-13H,2H2,1H3.
What are the key properties of ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 377.83 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 164946413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).