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

C21H21FN6O3 — CID 70497528

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

N-[3-(4-fluoro-2-methoxyphenyl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497528) has the molecular formula C21H21FN6O3 and a molecular weight of 424.44 g/mol. Its IUPAC name is N-[3-(4-fluoro-2-methoxyphenyl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-fluoro-2-methoxyphenyl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 70497528
• Molecular Formula: C21H21FN6O3
• Molecular Weight: 424.44 g/mol
• Exact Mass: 424.17
• IUPAC Name: N-[3-(4-fluoro-2-methoxyphenyl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1cc(F)ccc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12
• InChI: InChI=1S/C21H21FN6O3/c1-21(2,30)12-27-11-16(18(26-27)14-6-5-13(22)9-17(14)31-3)25-20(29)15-10-24-28-8-4-7-23-19(15)28/h4-11,30H,12H2,1-3H3,(H,25,29)
• InChIKey: NZRPFNYCKYRNTP-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 106.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.44
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-(4-fluoro-2-methoxyphenyl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497528) is N-[3-(4-fluoro-2-methoxyphenyl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[3-(4-fluoro-2-methoxyphenyl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(F)ccc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12.

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

The InChIKey is NZRPFNYCKYRNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O3/c1-21(2,30)12-27-11-16(18(26-27)14-6-5-13(22)9-17(14)31-3)25-20(29)15-10-24-28-8-4-7-23-19(15)28/h4-11,30H,12H2,1-3H3,(H,25,29).

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

N-[3-(4-fluoro-2-methoxyphenyl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-fluoro-2-methoxyphenyl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).