2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

C22H20FN3O — CID 141325485

IUPAC2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCOCc1nn2c(-c3ccc(F)cc3)ccnc2c1-c1ccc(C)cc1
InChIInChI=1S/C22H20FN3O/c1-3-27-14-19-21(17-6-4-15(2)5-7-17)22-24-13-12-20(26(22)25-19)16-8-10-18(23)11-9-16/h4-13H,3,14H2,1-2H3
InChIKeyHWANPMLSGJYZPL-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.05
Rot. Bonds5

About 2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 141325485) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID141325485
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCOCc1nn2c(-c3ccc(F)cc3)ccnc2c1-c1ccc(C)cc1
InChIInChI=1S/C22H20FN3O/c1-3-27-14-19-21(17-6-4-15(2)5-7-17)22-24-13-12-20(26(22)25-19)16-8-10-18(23)11-9-16/h4-13H,3,14H2,1-2H3
InChIKeyHWANPMLSGJYZPL-UHFFFAOYSA-N
XLogP5.05
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56738017
3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 66498417
2-ethyl-3-(4-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 56922032
3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 42647785
3-(4-fluorophenyl)-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 56920623
3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine
CID 66498472
7-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 66498780
7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 56922577
3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 56738010
3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 141325534
6-(4-fluorophenyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 4774984
3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine
CID 4775806

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 141325485) is 2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is CCOCc1nn2c(-c3ccc(F)cc3)ccnc2c1-c1ccc(C)cc1.
What is the InChIKey of 2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is HWANPMLSGJYZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-3-27-14-19-21(17-6-4-15(2)5-7-17)22-24-13-12-20(26(22)25-19)16-8-10-18(23)11-9-16/h4-13H,3,14H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 361.42 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141325485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).