N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H20F4N6O3 — CID 121361636

About N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121361636) has the molecular formula C22H20F4N6O3 and a molecular weight of 492.43 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 121361636
• Molecular Formula: C22H20F4N6O3
• Molecular Weight: 492.43 g/mol
• Exact Mass: 492.15
• IUPAC Name: N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cnn(-c2ccn3ncc(C(=O)NC(c4ccc(OC(F)(F)F)c(F)c4)C(C)(C)O)c3n2)c1
• InChI: InChI=1S/C22H20F4N6O3/c1-12-9-27-32(11-12)17-6-7-31-19(29-17)14(10-28-31)20(33)30-18(21(2,3)34)13-4-5-16(15(23)8-13)35-22(24,25)26/h4-11,18,34H,1-3H3,(H,30,33)
• InChIKey: BXPJPHBEDKPDRR-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 106.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.43
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121361636) is N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnn(-c2ccn3ncc(C(=O)NC(c4ccc(OC(F)(F)F)c(F)c4)C(C)(C)O)c3n2)c1.

What is the InChIKey of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BXPJPHBEDKPDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N6O3/c1-12-9-27-32(11-12)17-6-7-31-19(29-17)14(10-28-31)20(33)30-18(21(2,3)34)13-4-5-16(15(23)8-13)35-22(24,25)26/h4-11,18,34H,1-3H3,(H,30,33).

What are the key properties of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 492.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-5-(4-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121361636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).