(2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide

C11H15F3N4O2 — CID 120934160

IUPAC(2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C11H15F3N4O2/c1-7-9(15-2-3-20-7)10(19)17-8-4-16-18(5-8)6-11(12,13)14/h4-5,7,9,15H,2-3,6H2,1H3,(H,17,19)/t7-,9+/m1/s1
InChIKeySGHKRXJNCWADBY-APPZFPTMSA-N
MW292.26 g/mol
LogP0.76
Rot. Bonds3

About (2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide (PubChem CID 120934160) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
PubChem CID120934160
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name(2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C11H15F3N4O2/c1-7-9(15-2-3-20-7)10(19)17-8-4-16-18(5-8)6-11(12,13)14/h4-5,7,9,15H,2-3,6H2,1H3,(H,17,19)/t7-,9+/m1/s1
InChIKeySGHKRXJNCWADBY-APPZFPTMSA-N
XLogP0.76
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-methyl-N-[1-[2-(4-methylsulfanylanilino)-2-oxoethyl]pyrazol-4-yl]morpholine-3-carboxamide;hydrochloride
CID 120931510
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120918025
(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101
(2R,3S)-2-methyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)morpholine-3-carboxamide
CID 120940913
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
(2S,5R)-5-(aminomethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 120794258
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 110278326
(2R,3S)-N-[6-(diethylamino)-3-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938917
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide (CID 120934160) is (2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of (2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide?
The InChIKey is SGHKRXJNCWADBY-APPZFPTMSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-7-9(15-2-3-20-7)10(19)17-8-4-16-18(5-8)6-11(12,13)14/h4-5,7,9,15H,2-3,6H2,1H3,(H,17,19)/t7-,9+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 120934160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).