5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19F4N5O3 — CID 121361708

About 5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121361708) has the molecular formula C19H19F4N5O3 and a molecular weight of 441.39 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 121361708
• Molecular Formula: C19H19F4N5O3
• Molecular Weight: 441.39 g/mol
• Exact Mass: 441.14
• IUPAC Name: 5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COCC(NC(=O)c1cnn2ccc(N(C)C)nc12)c1ccc(OC(F)(F)F)c(F)c1
• InChI: InChI=1S/C19H19F4N5O3/c1-27(2)16-6-7-28-17(26-16)12(9-24-28)18(29)25-14(10-30-3)11-4-5-15(13(20)8-11)31-19(21,22)23/h4-9,14H,10H2,1-3H3,(H,25,29)
• InChIKey: SVLQZCKZMXNUDD-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 80.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.39
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121361708) is 5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCC(NC(=O)c1cnn2ccc(N(C)C)nc12)c1ccc(OC(F)(F)F)c(F)c1.

What is the InChIKey of 5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is SVLQZCKZMXNUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N5O3/c1-27(2)16-6-7-28-17(26-16)12(9-24-28)18(29)25-14(10-30-3)11-4-5-15(13(20)8-11)31-19(21,22)23/h4-9,14H,10H2,1-3H3,(H,25,29).

What are the key properties of 5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121361708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).