methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate

C13H19F3N4O3 — CID 163276638

IUPACmethyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(N2CCOC[C@H]2C)nn1CC(N)C(F)(F)F
InChIInChI=1S/C13H19F3N4O3/c1-8-7-23-4-3-19(8)11-5-9(12(21)22-2)20(18-11)6-10(17)13(14,15)16/h5,8,10H,3-4,6-7,17H2,1-2H3/t8-,10?/m1/s1
InChIKeyMMTSDICCANEZPA-HNHGDDPOSA-N
MW336.31 g/mol
LogP0.78
Rot. Bonds4

About methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate

methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate (PubChem CID 163276638) has the molecular formula C13H19F3N4O3 and a molecular weight of 336.31 g/mol. Its IUPAC name is methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate
PubChem CID163276638
Molecular FormulaC13H19F3N4O3
Molecular Weight336.31 g/mol
Exact Mass336.14
IUPAC Namemethyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(N2CCOC[C@H]2C)nn1CC(N)C(F)(F)F
InChIInChI=1S/C13H19F3N4O3/c1-8-7-23-4-3-19(8)11-5-9(12(21)22-2)20(18-11)6-10(17)13(14,15)16/h5,8,10H,3-4,6-7,17H2,1-2H3/t8-,10?/m1/s1
InChIKeyMMTSDICCANEZPA-HNHGDDPOSA-N
XLogP0.78
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxylate
CID 133418545
tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate
CID 162439842
methyl 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[4,5-b]pyridine-7-carboxylate
CID 151820966
tert-butyl N-[8-bromo-6-[(3S)-3-methylmorpholin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 178009170
methyl 3-amino-3-[5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoate
CID 139579616
[6-(3-methylmorpholin-4-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947151
6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine
CID 118067791
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
N-methoxy-N-methyl-2-[(8S)-2-[(3R)-3-methylmorpholin-4-yl]-4-oxo-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-9-yl]acetamide
CID 118091346
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
[6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea
CID 118333092
tert-butyl 2-[(8S)-2-(3-methylmorpholin-4-yl)-4-oxo-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-9-yl]acetate
CID 118104510

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate?
The IUPAC name of methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate (CID 163276638) is methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate is COC(=O)c1cc(N2CCOC[C@H]2C)nn1CC(N)C(F)(F)F.
What is the InChIKey of methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate?
The InChIKey is MMTSDICCANEZPA-HNHGDDPOSA-N. The full InChI is InChI=1S/C13H19F3N4O3/c1-8-7-23-4-3-19(8)11-5-9(12(21)22-2)20(18-11)6-10(17)13(14,15)16/h5,8,10H,3-4,6-7,17H2,1-2H3/t8-,10?/m1/s1.
What are the key properties of methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate?
methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate has a molecular weight of 336.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate is sourced from PubChem (CID 163276638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).