(2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

C15H23F3N4O2 — CID 99842492

IUPAC(2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESCCC[C@]1(COC)CCCN1C(=O)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C15H23F3N4O2/c1-3-6-14(11-24-2)7-4-8-22(14)13(23)19-12-5-9-21(20-12)10-15(16,17)18/h5,9H,3-4,6-8,10-11H2,1-2H3,(H,19,20,23)/t14-/m1/s1
InChIKeyPPXXRWWBZCTOHP-CQSZACIVSA-N
MW348.37 g/mol
LogP3.26
Rot. Bonds6

About (2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

(2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 99842492) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID99842492
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Name(2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESCCC[C@]1(COC)CCCN1C(=O)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C15H23F3N4O2/c1-3-6-14(11-24-2)7-4-8-22(14)13(23)19-12-5-9-21(20-12)10-15(16,17)18/h5,9H,3-4,6-8,10-11H2,1-2H3,(H,19,20,23)/t14-/m1/s1
InChIKeyPPXXRWWBZCTOHP-CQSZACIVSA-N
XLogP3.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 99842492) is (2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is CCC[C@]1(COC)CCCN1C(=O)Nc1ccn(CC(F)(F)F)n1.
What is the InChIKey of (2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is PPXXRWWBZCTOHP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-3-6-14(11-24-2)7-4-8-22(14)13(23)19-12-5-9-21(20-12)10-15(16,17)18/h5,9H,3-4,6-8,10-11H2,1-2H3,(H,19,20,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
(2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99842492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).