3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C20H24ClN5O — CID 665379

IUPAC3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCN2CCOCC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H24ClN5O/c1-14-13-18(22-7-8-25-9-11-27-12-10-25)26-20(23-14)19(15(2)24-26)16-3-5-17(21)6-4-16/h3-6,13,22H,7-12H2,1-2H3
InChIKeyUXTGVSCYQDIZAA-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.41
Rot. Bonds5

About 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 665379) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID665379
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCN2CCOCC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H24ClN5O/c1-14-13-18(22-7-8-25-9-11-27-12-10-25)26-20(23-14)19(15(2)24-26)16-3-5-17(21)6-4-16/h3-6,13,22H,7-12H2,1-2H3
InChIKeyUXTGVSCYQDIZAA-UHFFFAOYSA-N
XLogP3.41
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 665379) is 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCN2CCOCC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UXTGVSCYQDIZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-14-13-18(22-7-8-25-9-11-27-12-10-25)26-20(23-14)19(15(2)24-26)16-3-5-17(21)6-4-16/h3-6,13,22H,7-12H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 385.90 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 665379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).