1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H10F3N3O3 — CID 63711028

IUPAC1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1cn[nH]c1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)9(8(18)19)1-2-16(5-9)7(17)6-3-14-15-4-6/h3-4H,1-2,5H2,(H,14,15)(H,18,19)
InChIKeyLCMGUOSRKPYJFE-UHFFFAOYSA-N
MW277.20 g/mol
LogP0.89
Rot. Bonds2

About 1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63711028) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63711028
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1cn[nH]c1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)9(8(18)19)1-2-16(5-9)7(17)6-3-14-15-4-6/h3-4H,1-2,5H2,(H,14,15)(H,18,19)
InChIKeyLCMGUOSRKPYJFE-UHFFFAOYSA-N
XLogP0.89
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63711028) is 1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(c1cn[nH]c1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LCMGUOSRKPYJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c11-10(12,13)9(8(18)19)1-2-16(5-9)7(17)6-3-14-15-4-6/h3-4H,1-2,5H2,(H,14,15)(H,18,19).
What are the key properties of 1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 277.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63711028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).