1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid

C10H10F3N3O3 — CID 168691269

IUPAC1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCn1nc(C(F)(F)F)cc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H10F3N3O3/c1-15-7(3-6(14-15)10(11,12)13)16-4-5(9(18)19)2-8(16)17/h3,5H,2,4H2,1H3,(H,18,19)
InChIKeyWAGJPSFCPHJYDK-UHFFFAOYSA-N
MW277.20 g/mol
LogP0.88
Rot. Bonds2

About 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid

1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691269) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691269
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCn1nc(C(F)(F)F)cc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H10F3N3O3/c1-15-7(3-6(14-15)10(11,12)13)16-4-5(9(18)19)2-8(16)17/h3,5H,2,4H2,1H3,(H,18,19)
InChIKeyWAGJPSFCPHJYDK-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid (CID 168691269) is 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid is Cn1nc(C(F)(F)F)cc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is WAGJPSFCPHJYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c1-15-7(3-6(14-15)10(11,12)13)16-4-5(9(18)19)2-8(16)17/h3,5H,2,4H2,1H3,(H,18,19).
What are the key properties of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid?
1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 277.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).