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

C25H25ClN4O2 — CID 20863084

IUPAC3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)nn2c1C
InChIInChI=1S/C25H25ClN4O2/c1-4-32-23-8-6-5-7-21(23)28-25(31)14-13-20-16(2)27-24-15-22(29-30(24)17(20)3)18-9-11-19(26)12-10-18/h5-12,15H,4,13-14H2,1-3H3,(H,28,31)
InChIKeyRABGQPBJBLRQPR-UHFFFAOYSA-N
MW448.95 g/mol
LogP5.64
Rot. Bonds7

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

3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide (PubChem CID 20863084) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide
PubChem CID20863084
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)nn2c1C
InChIInChI=1S/C25H25ClN4O2/c1-4-32-23-8-6-5-7-21(23)28-25(31)14-13-20-16(2)27-24-15-22(29-30(24)17(20)3)18-9-11-19(26)12-10-18/h5-12,15H,4,13-14H2,1-3H3,(H,28,31)
InChIKeyRABGQPBJBLRQPR-UHFFFAOYSA-N
XLogP5.64
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide
CID 20863104
N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20862983
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylsulfanylphenyl)propanamide
CID 20863128
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-cyclopentylpropanamide
CID 20863074
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide
CID 20862942
N-(2-hydroxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 31617297
N-naphthalen-1-yl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33142251
3-[2-(aminomethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2,5-diethoxyphenyl)propanamide
CID 23602217
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide
CID 110685624
N-(2-methoxyphenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 122175613
N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863172
2-[3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzamide
CID 6622537

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide (CID 20863084) is 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)nn2c1C.
What is the InChIKey of 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is RABGQPBJBLRQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-4-32-23-8-6-5-7-21(23)28-25(31)14-13-20-16(2)27-24-15-22(29-30(24)17(20)3)18-9-11-19(26)12-10-18/h5-12,15H,4,13-14H2,1-3H3,(H,28,31).
What are the key properties of 3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide?
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 448.95 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 20863084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).