(2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid

C10H13F3N4O2 — CID 154036019

IUPAC(2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid
SMILESNc1cc([C@H]2CCCN2C(=O)O)nn1CC(F)(F)F
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)5-17-8(14)4-6(15-17)7-2-1-3-16(7)9(18)19/h4,7H,1-3,5,14H2,(H,18,19)/t7-/m1/s1
InChIKeyXEBZLLBAUYKEPC-SSDOTTSWSA-N
MW278.23 g/mol
LogP1.84
Rot. Bonds2

About (2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid

(2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid (PubChem CID 154036019) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is (2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid
PubChem CID154036019
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name(2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid
SMILESNc1cc([C@H]2CCCN2C(=O)O)nn1CC(F)(F)F
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)5-17-8(14)4-6(15-17)7-2-1-3-16(7)9(18)19/h4,7H,1-3,5,14H2,(H,18,19)/t7-/m1/s1
InChIKeyXEBZLLBAUYKEPC-SSDOTTSWSA-N
XLogP1.84
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid (CID 154036019) is (2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid is Nc1cc([C@H]2CCCN2C(=O)O)nn1CC(F)(F)F.
What is the InChIKey of (2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is XEBZLLBAUYKEPC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c11-10(12,13)5-17-8(14)4-6(15-17)7-2-1-3-16(7)9(18)19/h4,7H,1-3,5,14H2,(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid?
(2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 278.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154036019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).