5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H19F2N7O — CID 19455610

About 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19455610) has the molecular formula C21H19F2N7O and a molecular weight of 423.43 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19455610
• Molecular Formula: C21H19F2N7O
• Molecular Weight: 423.43 g/mol
• Exact Mass: 423.16
• IUPAC Name: 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cccc(Cn2cnc(NC(=O)c3cc4nc(C5CC5)cc(C(F)F)n4n3)n2)c1
• InChI: InChI=1S/C21H19F2N7O/c1-12-3-2-4-13(7-12)10-29-11-24-21(28-29)26-20(31)16-9-18-25-15(14-5-6-14)8-17(19(22)23)30(18)27-16/h2-4,7-9,11,14,19H,5-6,10H2,1H3,(H,26,28,31)
• InChIKey: JEWNMGIYGRNFOG-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.43
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19455610) is 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cccc(Cn2cnc(NC(=O)c3cc4nc(C5CC5)cc(C(F)F)n4n3)n2)c1.

What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is JEWNMGIYGRNFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O/c1-12-3-2-4-13(7-12)10-29-11-24-21(28-29)26-20(31)16-9-18-25-15(14-5-6-14)8-17(19(22)23)30(18)27-16/h2-4,7-9,11,14,19H,5-6,10H2,1H3,(H,26,28,31).

What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19455610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).