2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide

C12H17F3N4O2 — CID 4769222

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)NN1CCOCC1
InChIInChI=1S/C12H17F3N4O2/c1-8-7-10(12(13,14)15)16-19(8)9(2)11(20)17-18-3-5-21-6-4-18/h7,9H,3-6H2,1-2H3,(H,17,20)
InChIKeyAQGBWCDPSJJNBA-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.13
Rot. Bonds3

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide (PubChem CID 4769222) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide
PubChem CID4769222
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)NN1CCOCC1
InChIInChI=1S/C12H17F3N4O2/c1-8-7-10(12(13,14)15)16-19(8)9(2)11(20)17-18-3-5-21-6-4-18/h7,9H,3-6H2,1-2H3,(H,17,20)
InChIKeyAQGBWCDPSJJNBA-UHFFFAOYSA-N
XLogP1.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-1-morpholin-4-yl-ethanone
CID 673378
N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2257667
N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4770051
N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53555283
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 53624049
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone
CID 56781773
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 72043658
N1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-N2-(2-methoxyethyl)oxalamide
CID 45585905
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)acetamide
CID 842889
N-(4-methyl-1-piperazinyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 847249
N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 5147591
2-(3,5-Dimethylpyrazol-1-yl)-1-(3-methylmorpholin-4-yl)ethanone
CID 45812566

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide (CID 4769222) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)NN1CCOCC1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide?
The InChIKey is AQGBWCDPSJJNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-8-7-10(12(13,14)15)16-19(8)9(2)11(20)17-18-3-5-21-6-4-18/h7,9H,3-6H2,1-2H3,(H,17,20).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide has a molecular weight of 306.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide is sourced from PubChem (CID 4769222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).