N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide

C21H16F3N5O2 — CID 55574732

IUPACN-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncc3ccccc3c2=O)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H16F3N5O2/c1-13-9-18(29(27-13)16-7-4-6-15(10-16)21(22,23)24)26-19(30)12-28-20(31)17-8-3-2-5-14(17)11-25-28/h2-11H,12H2,1H3,(H,26,30)
InChIKeyHZYMYXZOIWXXOX-UHFFFAOYSA-N
MW427.39 g/mol
LogP3.55
Rot. Bonds4

About N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide

N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 55574732) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID55574732
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC NameN-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncc3ccccc3c2=O)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H16F3N5O2/c1-13-9-18(29(27-13)16-7-4-6-15(10-16)21(22,23)24)26-19(30)12-28-20(31)17-8-3-2-5-14(17)11-25-28/h2-11H,12H2,1H3,(H,26,30)
InChIKeyHZYMYXZOIWXXOX-UHFFFAOYSA-N
XLogP3.55
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 42949419
2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
CID 2380587
2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55520422
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 55503213
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55503346
2-[3,4-dimethyl-7-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 75465207
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 29417044
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 55503557
ethyl 5-methyl-1-[3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]phenyl]pyrazole-4-carboxylate
CID 33256895
6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55520425
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129733
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 17420505

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide (CID 55574732) is N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide is Cc1cc(NC(=O)Cn2ncc3ccccc3c2=O)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is HZYMYXZOIWXXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-13-9-18(29(27-13)16-7-4-6-15(10-16)21(22,23)24)26-19(30)12-28-20(31)17-8-3-2-5-14(17)11-25-28/h2-11H,12H2,1H3,(H,26,30).
What are the key properties of N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 427.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 55574732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).