5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C30H30N4O4 — CID 135548709

About 5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135548709) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135548709
• Molecular Formula: C30H30N4O4
• Molecular Weight: 510.59 g/mol
• Exact Mass: 510.23
• IUPAC Name: 5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCc1ccc(C2=CC(c3cc(OC)c(OC)cc3OC)n3ncc(C(=O)Nc4ccccc4)c3N2)cc1
• InChI: InChI=1S/C30H30N4O4/c1-5-19-11-13-20(14-12-19)24-16-25(22-15-27(37-3)28(38-4)17-26(22)36-2)34-29(33-24)23(18-31-34)30(35)32-21-9-7-6-8-10-21/h6-18,25,33H,5H2,1-4H3,(H,32,35)
• InChIKey: IKZWQVURHVMKQA-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 86.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.59
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135548709) is 5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ccc(C2=CC(c3cc(OC)c(OC)cc3OC)n3ncc(C(=O)Nc4ccccc4)c3N2)cc1.

What is the InChIKey of 5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IKZWQVURHVMKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-5-19-11-13-20(14-12-19)24-16-25(22-15-27(37-3)28(38-4)17-26(22)36-2)34-29(33-24)23(18-31-34)30(35)32-21-9-7-6-8-10-21/h6-18,25,33H,5H2,1-4H3,(H,32,35).

What are the key properties of 5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 510.59 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135548709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).