(2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide

C15H23F3N4O2 — CID 99842418

IUPAC(2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCCC[C@@]1(COC)CCCN1C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C15H23F3N4O2/c1-3-5-14(11-24-2)6-4-7-22(14)13(23)20-12-8-19-21(9-12)10-15(16,17)18/h8-9H,3-7,10-11H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyRHQOEZSKGWWHHB-AWEZNQCLSA-N
MW348.37 g/mol
LogP3.26
Rot. Bonds6

About (2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide

(2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide (PubChem CID 99842418) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
PubChem CID99842418
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Name(2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCCC[C@@]1(COC)CCCN1C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C15H23F3N4O2/c1-3-5-14(11-24-2)6-4-7-22(14)13(23)20-12-8-19-21(9-12)10-15(16,17)18/h8-9H,3-7,10-11H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyRHQOEZSKGWWHHB-AWEZNQCLSA-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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Related Compounds

(2S)-2-(methoxymethyl)-N-[(2-methylpyrimidin-4-yl)methyl]-2-propylpyrrolidine-1-carboxamide
CID 99838832
2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 119796081
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
furan-3-yl-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]methanone
CID 99837225
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide
CID 119796075
2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 136562597
3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741142
(2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 97226410
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]methanone
CID 99837210
2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide (CID 99842418) is (2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide is CCC[C@@]1(COC)CCCN1C(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of (2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is RHQOEZSKGWWHHB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-3-5-14(11-24-2)6-4-7-22(14)13(23)20-12-8-19-21(9-12)10-15(16,17)18/h8-9H,3-7,10-11H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
(2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-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 (2S)-2-(methoxymethyl)-2-propyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99842418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).