N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H18Cl2N6O — CID 19407150

About N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19407150) has the molecular formula C24H18Cl2N6O and a molecular weight of 477.36 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19407150
• Molecular Formula: C24H18Cl2N6O
• Molecular Weight: 477.36 g/mol
• Exact Mass: 476.09
• IUPAC Name: N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(-c2ccnc3c(C(=O)Nc4ccn(Cc5c(Cl)cccc5Cl)n4)cnn23)cc1
• InChI: InChI=1S/C24H18Cl2N6O/c1-15-5-7-16(8-6-15)21-9-11-27-23-17(13-28-32(21)23)24(33)29-22-10-12-31(30-22)14-18-19(25)3-2-4-20(18)26/h2-13H,14H2,1H3,(H,29,30,33)
• InChIKey: ZCMUERJCSVPIOF-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.36
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19407150) is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)Nc4ccn(Cc5c(Cl)cccc5Cl)n4)cnn23)cc1.

What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZCMUERJCSVPIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N6O/c1-15-5-7-16(8-6-15)21-9-11-27-23-17(13-28-32(21)23)24(33)29-22-10-12-31(30-22)14-18-19(25)3-2-4-20(18)26/h2-13H,14H2,1H3,(H,29,30,33).

What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 477.36 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19407150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).