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

C25H21ClN6O — CID 19411661

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

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19411661) has the molecular formula C25H21ClN6O and a molecular weight of 456.94 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19411661
• Molecular Formula: C25H21ClN6O
• Molecular Weight: 456.94 g/mol
• Exact Mass: 456.15
• IUPAC Name: N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(-c2ccnc3c(C(=O)Nc4cc(C)n(Cc5cccc(Cl)c5)n4)cnn23)cc1
• InChI: InChI=1S/C25H21ClN6O/c1-16-6-8-19(9-7-16)22-10-11-27-24-21(14-28-32(22)24)25(33)29-23-12-17(2)31(30-23)15-18-4-3-5-20(26)13-18/h3-14H,15H2,1-2H3,(H,29,30,33)
• InChIKey: WBHBUACHJHOMHG-UHFFFAOYSA-N
• XLogP: 5.16
• 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	456.94
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19411661) is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)Nc4cc(C)n(Cc5cccc(Cl)c5)n4)cnn23)cc1.

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

The InChIKey is WBHBUACHJHOMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O/c1-16-6-8-19(9-7-16)22-10-11-27-24-21(14-28-32(22)24)25(33)29-23-12-17(2)31(30-23)15-18-4-3-5-20(26)13-18/h3-14H,15H2,1-2H3,(H,29,30,33).

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

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 456.94 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19411661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).