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

C25H26F3N7O3 — CID 142477340

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

N-[3-[5-(2,3-difluoropropyl)-2-(1-fluoroethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142477340) has the molecular formula C25H26F3N7O3 and a molecular weight of 529.52 g/mol. Its IUPAC name is N-[3-[5-(2,3-difluoropropyl)-2-(1-fluoroethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-(2,3-difluoropropyl)-2-(1-fluoroethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 142477340
• Molecular Formula: C25H26F3N7O3
• Molecular Weight: 529.52 g/mol
• Exact Mass: 529.20
• IUPAC Name: N-[3-[5-(2,3-difluoropropyl)-2-(1-fluoroethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(F)Oc1ccc(CC(F)CF)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12
• InChI: InChI=1S/C25H26F3N7O3/c1-15(27)38-21-6-5-16(9-17(28)11-26)10-18(21)23-20(13-34(32-23)14-22(36)33(2)3)31-25(37)19-12-30-35-8-4-7-29-24(19)35/h4-8,10,12-13,15,17H,9,11,14H2,1-3H3,(H,31,37)
• InChIKey: HNNJDLFVRLVDRV-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 106.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.52
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-(2,3-difluoropropyl)-2-(1-fluoroethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142477340) is N-[3-[5-(2,3-difluoropropyl)-2-(1-fluoroethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[3-[5-(2,3-difluoropropyl)-2-(1-fluoroethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(F)Oc1ccc(CC(F)CF)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12.

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

The InChIKey is HNNJDLFVRLVDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O3/c1-15(27)38-21-6-5-16(9-17(28)11-26)10-18(21)23-20(13-34(32-23)14-22(36)33(2)3)31-25(37)19-12-30-35-8-4-7-29-24(19)35/h4-8,10,12-13,15,17H,9,11,14H2,1-3H3,(H,31,37).

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

N-[3-[5-(2,3-difluoropropyl)-2-(1-fluoroethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 529.52 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(2,3-difluoropropyl)-2-(1-fluoroethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142477340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).