ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate

C22H19N3O3 — CID 58628687

IUPACethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1ccn2ncc(-c3ccc(OCc4ccccc4)cc3)c2n1
InChIInChI=1S/C22H19N3O3/c1-2-27-22(26)20-12-13-25-21(24-20)19(14-23-25)17-8-10-18(11-9-17)28-15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3
InChIKeyKJYRXISSAPEFIF-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.15
Rot. Bonds6

About ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate

ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 58628687) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID58628687
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Nameethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1ccn2ncc(-c3ccc(OCc4ccccc4)cc3)c2n1
InChIInChI=1S/C22H19N3O3/c1-2-27-22(26)20-12-13-25-21(24-20)19(14-23-25)17-8-10-18(11-9-17)28-15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3
InChIKeyKJYRXISSAPEFIF-UHFFFAOYSA-N
XLogP4.15
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-tert-butylphenyl)-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628603
ethyl 3-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 58628329
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
2-(methylamino)-3-phenylpropanoic acid;3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbaldehyde
CID 142822777
ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
ethyl 3-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]benzoate
CID 142822830
ethyl 4-(4-hydroxyphenyl)-1H-pyrrole-2-carboxylate;ethyl 4-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 159312898
ethyl 3-phenyl-1-(2-phenylmethoxyethyl)pyrrolo[2,3-b]pyridine-6-carboxylate
CID 66795318
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232497

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 58628687) is ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1ccn2ncc(-c3ccc(OCc4ccccc4)cc3)c2n1.
What is the InChIKey of ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is KJYRXISSAPEFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-2-27-22(26)20-12-13-25-21(24-20)19(14-23-25)17-8-10-18(11-9-17)28-15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3.
What are the key properties of ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 58628687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).