7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H16F2N6O — CID 19590027

About 7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19590027) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19590027
• Molecular Formula: C19H16F2N6O
• Molecular Weight: 382.37 g/mol
• Exact Mass: 382.14
• IUPAC Name: 7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(NCCc1cnc[nH]1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
• InChI: InChI=1S/C19H16F2N6O/c20-17(21)16-8-15(12-4-2-1-3-5-12)26-18-14(10-25-27(16)18)19(28)23-7-6-13-9-22-11-24-13/h1-5,8-11,17H,6-7H2,(H,22,24)(H,23,28)
• InChIKey: FRSGNXLBSYKTCU-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.37
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19590027) is 7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCc1cnc[nH]1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.

What is the InChIKey of 7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is FRSGNXLBSYKTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c20-17(21)16-8-15(12-4-2-1-3-5-12)26-18-14(10-25-27(16)18)19(28)23-7-6-13-9-22-11-24-13/h1-5,8-11,17H,6-7H2,(H,22,24)(H,23,28).

What are the key properties of 7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19590027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).