N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

C20H24F3N5O4 — CID 156890670

About N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156890670) has the molecular formula C20H24F3N5O4 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 156890670
• Molecular Formula: C20H24F3N5O4
• Molecular Weight: 455.44 g/mol
• Exact Mass: 455.18
• IUPAC Name: N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N(C)CC(F)(F)F)c12
• InChI: InChI=1S/C20H24F3N5O4/c1-11(2)9-27-17-12(4-7-14(29)26(3)10-20(21,22)23)8-24-28(17)19(32)15(18(27)31)16(30)25-13-5-6-13/h4,7-8,11,13,31H,5-6,9-10H2,1-3H3,(H,25,30)/b7-4+
• InChIKey: TYBZSVQCOMYSLZ-QPJJXVBHSA-N
• XLogP: 1.78
• TPSA: 108.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.44
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156890670) is N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is CC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N(C)CC(F)(F)F)c12.

What is the InChIKey of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is TYBZSVQCOMYSLZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H24F3N5O4/c1-11(2)9-27-17-12(4-7-14(29)26(3)10-20(21,22)23)8-24-28(17)19(32)15(18(27)31)16(30)25-13-5-6-13/h4,7-8,11,13,31H,5-6,9-10H2,1-3H3,(H,25,30)/b7-4+.

What are the key properties of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-3-[(E)-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156890670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).