N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H21F2N7O3 — CID 135378777

About N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135378777) has the molecular formula C23H21F2N7O3 and a molecular weight of 481.46 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135378777
• Molecular Formula: C23H21F2N7O3
• Molecular Weight: 481.46 g/mol
• Exact Mass: 481.17
• IUPAC Name: N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C=Cc1ccc(OC(F)F)c(-c2nn(CC(=O)N(C)C)cc2NC(=O)c2cnn3cccnc23)c1
• InChI: InChI=1S/C23H21F2N7O3/c1-4-14-6-7-18(35-23(24)25)15(10-14)20-17(12-31(29-20)13-19(33)30(2)3)28-22(34)16-11-27-32-9-5-8-26-21(16)32/h4-12,23H,1,13H2,2-3H3,(H,28,34)
• InChIKey: BFBOBICLTULIFF-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 106.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.46
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135378777) is N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=Cc1ccc(OC(F)F)c(-c2nn(CC(=O)N(C)C)cc2NC(=O)c2cnn3cccnc23)c1.

What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BFBOBICLTULIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O3/c1-4-14-6-7-18(35-23(24)25)15(10-14)20-17(12-31(29-20)13-19(33)30(2)3)28-22(34)16-11-27-32-9-5-8-26-21(16)32/h4-12,23H,1,13H2,2-3H3,(H,28,34).

What are the key properties of N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 481.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(difluoromethoxy)-5-ethenylphenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135378777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).