4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide

C23H20F3N5O2 — CID 24854836

IUPAC4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1-c1ccc2c(O[C@H](C)C(F)(F)F)nncc2c1
InChIInChI=1S/C23H20F3N5O2/c1-13-4-5-16(21(32)29-20-8-9-28-31(20)3)11-19(13)15-6-7-18-17(10-15)12-27-30-22(18)33-14(2)23(24,25)26/h4-12,14H,1-3H3,(H,29,32)/t14-/m1/s1
InChIKeyGNFSLLOYEJOLFA-CQSZACIVSA-N
MW455.44 g/mol
LogP4.92
Rot. Bonds5

About 4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide

4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide (PubChem CID 24854836) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide
PubChem CID24854836
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1-c1ccc2c(O[C@H](C)C(F)(F)F)nncc2c1
InChIInChI=1S/C23H20F3N5O2/c1-13-4-5-16(21(32)29-20-8-9-28-31(20)3)11-19(13)15-6-7-18-17(10-15)12-27-30-22(18)33-14(2)23(24,25)26/h4-12,14H,1-3H3,(H,29,32)/t14-/m1/s1
InChIKeyGNFSLLOYEJOLFA-CQSZACIVSA-N
XLogP4.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide?
The IUPAC name of 4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide (CID 24854836) is 4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide.
What is the SMILES notation for 4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide?
The canonical SMILES for 4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide is Cc1ccc(C(=O)Nc2ccnn2C)cc1-c1ccc2c(O[C@H](C)C(F)(F)F)nncc2c1.
What is the InChIKey of 4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide?
The InChIKey is GNFSLLOYEJOLFA-CQSZACIVSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-13-4-5-16(21(32)29-20-8-9-28-31(20)3)11-19(13)15-6-7-18-17(10-15)12-27-30-22(18)33-14(2)23(24,25)26/h4-12,14H,1-3H3,(H,29,32)/t14-/m1/s1.
What are the key properties of 4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide?
4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide has a molecular weight of 455.44 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpyrazol-3-yl)-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide is sourced from PubChem (CID 24854836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).