N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H22F3N5O4 — CID 129297723

About N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297723) has the molecular formula C22H22F3N5O4 and a molecular weight of 477.44 g/mol. Its IUPAC name is N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129297723
• Molecular Formula: C22H22F3N5O4
• Molecular Weight: 477.44 g/mol
• Exact Mass: 477.16
• IUPAC Name: N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1cc(C[C@@]2(C(F)(F)F)CC2O)c(O)cc1N1CCOCC1)c1cnn2cccnc12
• InChI: InChI=1S/C22H22F3N5O4/c23-22(24,25)21(11-18(21)32)10-13-8-15(16(9-17(13)31)29-4-6-34-7-5-29)28-20(33)14-12-27-30-3-1-2-26-19(14)30/h1-3,8-9,12,18,31-32H,4-7,10-11H2,(H,28,33)/t18?,21-/m1/s1
• InChIKey: KYYWLYPCQSMCQM-BDPMCISCSA-N
• XLogP: 2.38
• TPSA: 112.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.44
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297723) is N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(C[C@@]2(C(F)(F)F)CC2O)c(O)cc1N1CCOCC1)c1cnn2cccnc12.

What is the InChIKey of N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KYYWLYPCQSMCQM-BDPMCISCSA-N. The full InChI is InChI=1S/C22H22F3N5O4/c23-22(24,25)21(11-18(21)32)10-13-8-15(16(9-17(13)31)29-4-6-34-7-5-29)28-20(33)14-12-27-30-3-1-2-26-19(14)30/h1-3,8-9,12,18,31-32H,4-7,10-11H2,(H,28,33)/t18?,21-/m1/s1.

What are the key properties of N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 477.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).