3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C20H16F3N5O2 — CID 56762027

IUPAC3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCc1nn(-c2ccccn2)c(N)c1C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C20H16F3N5O2/c1-11-17(18(24)28(26-11)15-7-2-3-8-25-15)14-10-16(29)27(19(14)30)13-6-4-5-12(9-13)20(21,22)23/h2-9,14H,10,24H2,1H3
InChIKeyYTQOHIGVFSROOM-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.22
Rot. Bonds3

About 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 56762027) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID56762027
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC Name3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCc1nn(-c2ccccn2)c(N)c1C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C20H16F3N5O2/c1-11-17(18(24)28(26-11)15-7-2-3-8-25-15)14-10-16(29)27(19(14)30)13-6-4-5-12(9-13)20(21,22)23/h2-9,14H,10,24H2,1H3
InChIKeyYTQOHIGVFSROOM-UHFFFAOYSA-N
XLogP3.22
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 56762027) is 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is Cc1nn(-c2ccccn2)c(N)c1C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is YTQOHIGVFSROOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c1-11-17(18(24)28(26-11)15-7-2-3-8-25-15)14-10-16(29)27(19(14)30)13-6-4-5-12(9-13)20(21,22)23/h2-9,14H,10,24H2,1H3.
What are the key properties of 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 415.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 56762027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).