3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide

C25H25ClN4O — CID 20863104

IUPAC3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide
SMILESCc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C25H25ClN4O/c1-16(19-7-5-4-6-8-19)28-25(31)14-13-22-17(2)27-24-15-23(29-30(24)18(22)3)20-9-11-21(26)12-10-20/h4-12,15-16H,13-14H2,1-3H3,(H,28,31)
InChIKeyBYDBQDBIYGFHJU-UHFFFAOYSA-N
MW432.96 g/mol
LogP5.48
Rot. Bonds6

About 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide

3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide (PubChem CID 20863104) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide
PubChem CID20863104
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide
SMILESCc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C25H25ClN4O/c1-16(19-7-5-4-6-8-19)28-25(31)14-13-22-17(2)27-24-15-23(29-30(24)18(22)3)20-9-11-21(26)12-10-20/h4-12,15-16H,13-14H2,1-3H3,(H,28,31)
InChIKeyBYDBQDBIYGFHJU-UHFFFAOYSA-N
XLogP5.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-cyclopentylpropanamide
CID 20863074
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide
CID 20863084
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylsulfanylphenyl)propanamide
CID 20863128
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 51100400
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 20863535
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 23603999
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 46568330
N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863172
N-cyclopentyl-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 6619700
N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20862983
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide
CID 20862942
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080268

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide (CID 20863104) is 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide is Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide?
The InChIKey is BYDBQDBIYGFHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-16(19-7-5-4-6-8-19)28-25(31)14-13-22-17(2)27-24-15-23(29-30(24)18(22)3)20-9-11-21(26)12-10-20/h4-12,15-16H,13-14H2,1-3H3,(H,28,31).
What are the key properties of 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide?
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide has a molecular weight of 432.96 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 20863104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).