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

C28H23N3O3 — CID 69155295

IUPACethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3ccccc3)c(-c3ccc(-c4cccc(OC)c4)cc3)cnc12
InChIInChI=1S/C28H23N3O3/c1-3-34-28(32)25-18-30-31-26(21-8-5-4-6-9-21)24(17-29-27(25)31)20-14-12-19(13-15-20)22-10-7-11-23(16-22)33-2/h4-18H,3H2,1-2H3
InChIKeyRPSSDTJBJMHCNH-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.92
Rot. Bonds6

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

ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 69155295) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID69155295
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC Nameethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3ccccc3)c(-c3ccc(-c4cccc(OC)c4)cc3)cnc12
InChIInChI=1S/C28H23N3O3/c1-3-34-28(32)25-18-30-31-26(21-8-5-4-6-9-21)24(17-29-27(25)31)20-14-12-19(13-15-20)22-10-7-11-23(16-22)33-2/h4-18H,3H2,1-2H3
InChIKeyRPSSDTJBJMHCNH-UHFFFAOYSA-N
XLogP5.92
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 15957947
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746
ethyl 7-(difluoromethyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4773420
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
CID 59324439
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986680
3-ethoxycarbonyl-2-(3-methoxyphenyl)benzoic acid
CID 169449752
ethyl 7-amino-6-(3-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 170313989
7-(3-methoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050176
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate
CID 2815824

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 69155295) is ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(-c3ccccc3)c(-c3ccc(-c4cccc(OC)c4)cc3)cnc12.
What is the InChIKey of ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is RPSSDTJBJMHCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c1-3-34-28(32)25-18-30-31-26(21-8-5-4-6-9-21)24(17-29-27(25)31)20-14-12-19(13-15-20)22-10-7-11-23(16-22)33-2/h4-18H,3H2,1-2H3.
What are the key properties of ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 449.51 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 69155295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).