5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H16F4N6O — CID 19462611

About 5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462611) has the molecular formula C16H16F4N6O and a molecular weight of 384.34 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19462611
• Molecular Formula: C16H16F4N6O
• Molecular Weight: 384.34 g/mol
• Exact Mass: 384.13
• IUPAC Name: 5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCn1ccc(C(C)NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)n1
• InChI: InChI=1S/C16H16F4N6O/c1-3-25-5-4-9(23-25)8(2)21-16(27)11-7-13-22-10(14(17)18)6-12(15(19)20)26(13)24-11/h4-8,14-15H,3H2,1-2H3,(H,21,27)
• InChIKey: WXUYNUYYFIQSMJ-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.34
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462611) is 5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ccc(C(C)NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)n1.

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

The InChIKey is WXUYNUYYFIQSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N6O/c1-3-25-5-4-9(23-25)8(2)21-16(27)11-7-13-22-10(14(17)18)6-12(15(19)20)26(13)24-11/h4-8,14-15H,3H2,1-2H3,(H,21,27).

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

5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).