3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C25H26ClN5O — CID 58628665

About 3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628665) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
• PubChem CID: 58628665
• Molecular Formula: C25H26ClN5O
• Molecular Weight: 447.97 g/mol
• Exact Mass: 447.18
• IUPAC Name: 3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
• SMILES: CCN(CC)CCc1ccccc1NC(=O)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
• InChI: InChI=1S/C25H26ClN5O/c1-3-30(4-2)14-12-18-8-5-6-11-22(18)29-25(32)23-13-15-31-24(28-23)21(17-27-31)19-9-7-10-20(26)16-19/h5-11,13,15-17H,3-4,12,14H2,1-2H3,(H,29,32)
• InChIKey: XYFDDJSCCXPZKM-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.97
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The IUPAC name of 3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628665) is 3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The canonical SMILES for 3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is CCN(CC)CCc1ccccc1NC(=O)c1ccn2ncc(-c3cccc(Cl)c3)c2n1.

What is the InChIKey of 3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The InChIKey is XYFDDJSCCXPZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O/c1-3-30(4-2)14-12-18-8-5-6-11-22(18)29-25(32)23-13-15-31-24(28-23)21(17-27-31)19-9-7-10-20(26)16-19/h5-11,13,15-17H,3-4,12,14H2,1-2H3,(H,29,32).

What are the key properties of 3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 447.97 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-N-[2-[2-(diethylamino)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).