7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H17ClF2N6O — CID 19458106

About 7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19458106) has the molecular formula C20H17ClF2N6O and a molecular weight of 430.85 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19458106
• Molecular Formula: C20H17ClF2N6O
• Molecular Weight: 430.85 g/mol
• Exact Mass: 430.11
• IUPAC Name: 7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cccc(Cn2ccc(NC(=O)c3cc4nc(C)cc(C(F)(F)Cl)n4n3)n2)c1
• InChI: InChI=1S/C20H17ClF2N6O/c1-12-4-3-5-14(8-12)11-28-7-6-17(27-28)25-19(30)15-10-18-24-13(2)9-16(20(21,22)23)29(18)26-15/h3-10H,11H2,1-2H3,(H,25,27,30)
• InChIKey: YOLGRQGSIIDRMC-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.85
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19458106) is 7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cccc(Cn2ccc(NC(=O)c3cc4nc(C)cc(C(F)(F)Cl)n4n3)n2)c1.

What is the InChIKey of 7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is YOLGRQGSIIDRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N6O/c1-12-4-3-5-14(8-12)11-28-7-6-17(27-28)25-19(30)15-10-18-24-13(2)9-16(20(21,22)23)29(18)26-15/h3-10H,11H2,1-2H3,(H,25,27,30).

What are the key properties of 7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?

7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 430.85 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19458106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).