N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H10ClF3N6O2 — CID 162657041

About N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 162657041) has the molecular formula C17H10ClF3N6O2 and a molecular weight of 422.75 g/mol. Its IUPAC name is N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 162657041
• Molecular Formula: C17H10ClF3N6O2
• Molecular Weight: 422.75 g/mol
• Exact Mass: 422.05
• IUPAC Name: N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1cn[nH]c1-c1c(OC(F)F)ccc(Cl)c1F)c1cnn2cccnc12
• InChI: InChI=1S/C17H10ClF3N6O2/c18-9-2-3-11(29-17(20)21)12(13(9)19)14-10(7-23-26-14)25-16(28)8-6-24-27-5-1-4-22-15(8)27/h1-7,17H,(H,23,26)(H,25,28)
• InChIKey: IZDWBWBZAMWGPQ-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 97.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.75
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 162657041) is N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1c(OC(F)F)ccc(Cl)c1F)c1cnn2cccnc12.

What is the InChIKey of N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IZDWBWBZAMWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N6O2/c18-9-2-3-11(29-17(20)21)12(13(9)19)14-10(7-23-26-14)25-16(28)8-6-24-27-5-1-4-22-15(8)27/h1-7,17H,(H,23,26)(H,25,28).

What are the key properties of N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.75 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 162657041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).