N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H26Cl2N4O2 — CID 139313875

About N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 139313875) has the molecular formula C26H26Cl2N4O2 and a molecular weight of 497.43 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 139313875
• Molecular Formula: C26H26Cl2N4O2
• Molecular Weight: 497.43 g/mol
• Exact Mass: 496.14
• IUPAC Name: N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(OC(C)(C)C)c1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C26H26Cl2N4O2/c1-16-20(13-17-9-11-19(27)12-10-17)25(34-26(2,3)4)32-23(31-16)21(15-30-32)24(33)29-14-18-7-5-6-8-22(18)28/h5-12,15H,13-14H2,1-4H3,(H,29,33)
• InChIKey: SAHGRQGZFBEVAH-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.43
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 139313875) is N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(OC(C)(C)C)c1Cc1ccc(Cl)cc1.

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

The InChIKey is SAHGRQGZFBEVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O2/c1-16-20(13-17-9-11-19(27)12-10-17)25(34-26(2,3)4)32-23(31-16)21(15-30-32)24(33)29-14-18-7-5-6-8-22(18)28/h5-12,15H,13-14H2,1-4H3,(H,29,33).

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

N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 497.43 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 139313875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).