N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H23F3N6O2 — CID 19340651

About N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19340651) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19340651
• Molecular Formula: C23H23F3N6O2
• Molecular Weight: 472.47 g/mol
• Exact Mass: 472.18
• IUPAC Name: N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCOCn1cc(NC(=O)c2cc3nc(-c4ccc(C(C)C)cc4)cc(C(F)(F)F)n3n2)cn1
• InChI: InChI=1S/C23H23F3N6O2/c1-4-34-13-31-12-17(11-27-31)28-22(33)19-10-21-29-18(9-20(23(24,25)26)32(21)30-19)16-7-5-15(6-8-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,28,33)
• InChIKey: XWBBVYFUBWDXNU-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.47
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19340651) is N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCOCn1cc(NC(=O)c2cc3nc(-c4ccc(C(C)C)cc4)cc(C(F)(F)F)n3n2)cn1.

What is the InChIKey of N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is XWBBVYFUBWDXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-4-34-13-31-12-17(11-27-31)28-22(33)19-10-21-29-18(9-20(23(24,25)26)32(21)30-19)16-7-5-15(6-8-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,28,33).

What are the key properties of N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19340651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).