2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H23ClN4O — CID 60505510

IUPAC2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H23ClN4O/c1-11-17(13(3)22(5)20-11)19-16(23)10-21(4)12(2)14-8-6-7-9-15(14)18/h6-9,12H,10H2,1-5H3,(H,19,23)
InChIKeyOJJGCTOZFPYIPC-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.32
Rot. Bonds5

About 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 60505510) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID60505510
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H23ClN4O/c1-11-17(13(3)22(5)20-11)19-16(23)10-21(4)12(2)14-8-6-7-9-15(14)18/h6-9,12H,10H2,1-5H3,(H,19,23)
InChIKeyOJJGCTOZFPYIPC-UHFFFAOYSA-N
XLogP3.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8805123
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8599075
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51282265
2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287667
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
2-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253059
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8552057
(2S)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8815206
N-tert-butyl-2-[1-(2-chlorophenyl)ethyl-methylamino]acetamide
CID 84831983
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576
(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8847225
2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43304649

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 60505510) is 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN(C)C(C)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is OJJGCTOZFPYIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-11-17(13(3)22(5)20-11)19-16(23)10-21(4)12(2)14-8-6-7-9-15(14)18/h6-9,12H,10H2,1-5H3,(H,19,23).
What are the key properties of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 334.85 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 60505510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).