ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate

C22H19N3O3 — CID 42877149

IUPACethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OC)c2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C22H19N3O3/c1-3-28-22(26)19-13-20(16-10-7-11-17(12-16)27-2)25-21(23-19)14-18(24-25)15-8-5-4-6-9-15/h4-14H,3H2,1-2H3
InChIKeyVCWPIPLCVRILSY-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.25
Rot. Bonds5

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

ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 42877149) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID42877149
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Nameethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OC)c2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C22H19N3O3/c1-3-28-22(26)19-13-20(16-10-7-11-17(12-16)27-2)25-21(23-19)14-18(24-25)15-8-5-4-6-9-15/h4-14H,3H2,1-2H3
InChIKeyVCWPIPLCVRILSY-UHFFFAOYSA-N
XLogP4.25
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 164946423
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483
ethyl (3R)-1-[7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 93008972
5-ethoxycarbonyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 34179423
N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079657
7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 93008975
ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
CID 113341045
ethyl 5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55182741
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
ethyl 5-(3-methoxyphenyl)-1-[4-[[(2S)-4-phenylbutan-2-yl]carbamoyl]phenyl]pyrazole-3-carboxylate
CID 92820286
ethyl 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 46900211

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 42877149) is ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(-c2cccc(OC)c2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is VCWPIPLCVRILSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-3-28-22(26)19-13-20(16-10-7-11-17(12-16)27-2)25-21(23-19)14-18(24-25)15-8-5-4-6-9-15/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 42877149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).