N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide

C22H20F3N5O2 — CID 143640307

About N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide

N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide (PubChem CID 143640307) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide
• PubChem CID: 143640307
• Molecular Formula: C22H20F3N5O2
• Molecular Weight: 443.43 g/mol
• Exact Mass: 443.16
• IUPAC Name: N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide
• SMILES: Cc1ccc(C(=O)NC2=CCNN2)cc1-c1ccc2c(OC(C)C(F)(F)F)nncc2c1
• InChI: InChI=1S/C22H20F3N5O2/c1-12-3-4-15(20(31)28-19-7-8-26-29-19)10-18(12)14-5-6-17-16(9-14)11-27-30-21(17)32-13(2)22(23,24)25/h3-7,9-11,13,26,29H,8H2,1-2H3,(H,28,31)
• InChIKey: XLBIQEVRZXUPIL-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 88.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.43
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide?

The IUPAC name of N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide (CID 143640307) is N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide.

What is the SMILES notation for N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide?

The canonical SMILES for N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide is Cc1ccc(C(=O)NC2=CCNN2)cc1-c1ccc2c(OC(C)C(F)(F)F)nncc2c1.

What is the InChIKey of N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide?

The InChIKey is XLBIQEVRZXUPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-12-3-4-15(20(31)28-19-7-8-26-29-19)10-18(12)14-5-6-17-16(9-14)11-27-30-21(17)32-13(2)22(23,24)25/h3-7,9-11,13,26,29H,8H2,1-2H3,(H,28,31).

What are the key properties of N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide?

N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide has a molecular weight of 443.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-pyrazol-5-yl)-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide is sourced from PubChem (CID 143640307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).