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

C16H22N4O — CID 115289817

IUPAC2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCc1ccc(CN(C)C(=O)C(N)c2cnn(C)c2)cc1
InChIInChI=1S/C16H22N4O/c1-4-12-5-7-13(8-6-12)10-19(2)16(21)15(17)14-9-18-20(3)11-14/h5-9,11,15H,4,10,17H2,1-3H3
InChIKeyRSFJGIDNXBVFOG-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.64
Rot. Bonds5

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

2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115289817) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115289817
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCc1ccc(CN(C)C(=O)C(N)c2cnn(C)c2)cc1
InChIInChI=1S/C16H22N4O/c1-4-12-5-7-13(8-6-12)10-19(2)16(21)15(17)14-9-18-20(3)11-14/h5-9,11,15H,4,10,17H2,1-3H3
InChIKeyRSFJGIDNXBVFOG-UHFFFAOYSA-N
XLogP1.64
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289693
1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one
CID 116604871
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290215
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290169
2-amino-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylethyl)acetamide
CID 112658924
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
2-amino-N-cyclopropyl-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289735
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109
(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
CID 93368050
2-amino-N-ethyl-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115290980
2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide
CID 113279791

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide (CID 115289817) is 2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide is CCc1ccc(CN(C)C(=O)C(N)c2cnn(C)c2)cc1.
What is the InChIKey of 2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is RSFJGIDNXBVFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-12-5-7-13(8-6-12)10-19(2)16(21)15(17)14-9-18-20(3)11-14/h5-9,11,15H,4,10,17H2,1-3H3.
What are the key properties of 2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115289817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).