2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C11H16F3N5O2 — CID 34153757

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1cnn(C)c1
InChIInChI=1S/C11H16F3N5O2/c1-18(4-8-3-16-19(2)5-8)6-9(20)17-10(21)15-7-11(12,13)14/h3,5H,4,6-7H2,1-2H3,(H2,15,17,20,21)
InChIKeyCPEQLMTXSAAMRY-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.24
Rot. Bonds5

About 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 34153757) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID34153757
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1cnn(C)c1
InChIInChI=1S/C11H16F3N5O2/c1-18(4-8-3-16-19(2)5-8)6-9(20)17-10(21)15-7-11(12,13)14/h3,5H,4,6-7H2,1-2H3,(H2,15,17,20,21)
InChIKeyCPEQLMTXSAAMRY-UHFFFAOYSA-N
XLogP0.24
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 39780269
N-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196200
N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 51183315
methyl 4-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetyl]amino]butanoate
CID 34153497
N-(2-cyano-3-methylbutan-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 47109711
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
N-(2-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438617
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924536
N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196125
N-(3-chlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196114
N-(2,3-dichlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196117
ethyl 4-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetyl]amino]benzoate
CID 22196150

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 34153757) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CN(CC(=O)NC(=O)NCC(F)(F)F)Cc1cnn(C)c1.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is CPEQLMTXSAAMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c1-18(4-8-3-16-19(2)5-8)6-9(20)17-10(21)15-7-11(12,13)14/h3,5H,4,6-7H2,1-2H3,(H2,15,17,20,21).
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 307.28 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 34153757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).