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

C23H18ClN7O — CID 19440511

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

N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19440511) has the molecular formula C23H18ClN7O and a molecular weight of 443.90 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19440511
• Molecular Formula: C23H18ClN7O
• Molecular Weight: 443.90 g/mol
• Exact Mass: 443.13
• IUPAC Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(-c2ccnc3c(C(=O)Nc4ncn(Cc5cccc(Cl)c5)n4)cnn23)cc1
• InChI: InChI=1S/C23H18ClN7O/c1-15-5-7-17(8-6-15)20-9-10-25-21-19(12-27-31(20)21)22(32)28-23-26-14-30(29-23)13-16-3-2-4-18(24)11-16/h2-12,14H,13H2,1H3,(H,28,29,32)
• InChIKey: NKJGKDOUAQQOFQ-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.90
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19440511) is N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)Nc4ncn(Cc5cccc(Cl)c5)n4)cnn23)cc1.

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

The InChIKey is NKJGKDOUAQQOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O/c1-15-5-7-17(8-6-15)20-9-10-25-21-19(12-27-31(20)21)22(32)28-23-26-14-30(29-23)13-16-3-2-4-18(24)11-16/h2-12,14H,13H2,1H3,(H,28,29,32).

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

N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 443.90 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19440511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).