5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine

C23H31F5N8O — CID 145153098

About 5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine

5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine (PubChem CID 145153098) has the molecular formula C23H31F5N8O and a molecular weight of 530.55 g/mol. Its IUPAC name is 5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine.

Molecular Properties

• Compound Name: 5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine
• PubChem CID: 145153098
• Molecular Formula: C23H31F5N8O
• Molecular Weight: 530.55 g/mol
• Exact Mass: 530.25
• IUPAC Name: 5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine
• SMILES: C1CCCCC1.CCC(N)(F)F.Nc1ccn2ncc(C(=O)Nc3cn(C4CC4)nc3C(F)(F)F)c2n1
• InChI: InChI=1S/C14H12F3N7O.C6H12.C3H7F2N/c15-14(16,17)11-9(6-24(22-11)7-1-2-7)20-13(25)8-5-19-23-4-3-10(18)21-12(8)23;1-2-4-6-5-3-1;1-2-3(4,5)6/h3-7H,1-2H2,(H2,18,21)(H,20,25);1-6H2;2,6H2,1H3
• InChIKey: VISLEURPMUKCTJ-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 129.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.55
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine?

The IUPAC name of 5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine (CID 145153098) is 5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine.

What is the SMILES notation for 5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine?

The canonical SMILES for 5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine is C1CCCCC1.CCC(N)(F)F.Nc1ccn2ncc(C(=O)Nc3cn(C4CC4)nc3C(F)(F)F)c2n1.

What is the InChIKey of 5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine?

The InChIKey is VISLEURPMUKCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N7O.C6H12.C3H7F2N/c15-14(16,17)11-9(6-24(22-11)7-1-2-7)20-13(25)8-5-19-23-4-3-10(18)21-12(8)23;1-2-4-6-5-3-1;1-2-3(4,5)6/h3-7H,1-2H2,(H2,18,21)(H,20,25);1-6H2;2,6H2,1H3.

What are the key properties of 5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine?

5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine has a molecular weight of 530.55 g/mol, XLogP of 5.40, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclohexane;1,1-difluoropropan-1-amine is sourced from PubChem (CID 145153098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).