ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C27H21N3O3 — CID 15957947

IUPACethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H21N3O3/c1-2-32-27(31)24-18-29-30-25(20-9-5-3-6-10-20)23(17-28-26(24)30)19-13-15-22(16-14-19)33-21-11-7-4-8-12-21/h3-18H,2H2,1H3
InChIKeyRUWPHHQDVMJZCY-UHFFFAOYSA-N
MW435.48 g/mol
LogP6.03
Rot. Bonds6

About ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 15957947) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID15957947
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC Nameethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H21N3O3/c1-2-32-27(31)24-18-29-30-25(20-9-5-3-6-10-20)23(17-28-26(24)30)19-13-15-22(16-14-19)33-21-11-7-4-8-12-21/h3-18H,2H2,1H3
InChIKeyRUWPHHQDVMJZCY-UHFFFAOYSA-N
XLogP6.03
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 69155295
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
ethyl 10-oxo-11-(4-phenoxyphenyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66505111
6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 15957948
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 170313989
ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10449670
ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986680
ethyl 7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 12766264
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 15957947) is ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)cnc12.
What is the InChIKey of ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is RUWPHHQDVMJZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c1-2-32-27(31)24-18-29-30-25(20-9-5-3-6-10-20)23(17-28-26(24)30)19-13-15-22(16-14-19)33-21-11-7-4-8-12-21/h3-18H,2H2,1H3.
What are the key properties of ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 15957947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).