N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21F4N5O3 — CID 67500425

About N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500425) has the molecular formula C21H21F4N5O3 and a molecular weight of 467.42 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 67500425
• Molecular Formula: C21H21F4N5O3
• Molecular Weight: 467.42 g/mol
• Exact Mass: 467.16
• IUPAC Name: N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(NC[C@@H](O)CO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3C(F)(F)F)nc12
• InChI: InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/m1/s1
• InChIKey: IVHDXWQQZJTUMV-CXAGYDPISA-N
• XLogP: 2.31
• TPSA: 102.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.42
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500425) is N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC[C@@H](O)CO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3C(F)(F)F)nc12.

What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IVHDXWQQZJTUMV-CXAGYDPISA-N. The full InChI is InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/m1/s1.

What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 467.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2,3-dihydroxypropyl]-5-[(2R)-2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).