N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide

C17H23ClN4O — CID 22194169

IUPACN-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCCn1ncc(CN(C)CC(=O)Nc2cc(Cl)ccc2C)c1C
InChIInChI=1S/C17H23ClN4O/c1-5-22-13(3)14(9-19-22)10-21(4)11-17(23)20-16-8-15(18)7-6-12(16)2/h6-9H,5,10-11H2,1-4H3,(H,20,23)
InChIKeyUHOWXAYXDOONNF-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.24
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 22194169) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID22194169
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCCn1ncc(CN(C)CC(=O)Nc2cc(Cl)ccc2C)c1C
InChIInChI=1S/C17H23ClN4O/c1-5-22-13(3)14(9-19-22)10-21(4)11-17(23)20-16-8-15(18)7-6-12(16)2/h6-9H,5,10-11H2,1-4H3,(H,20,23)
InChIKeyUHOWXAYXDOONNF-UHFFFAOYSA-N
XLogP3.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9166949
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660360
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 8745492
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287854
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 4849161
N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196482
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
2-[[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 22194107
N-(2,5-dimethylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045365
N-(5-chloro-2-methylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053943
methyl 2-[[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 22194134

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide (CID 22194169) is N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide is CCn1ncc(CN(C)CC(=O)Nc2cc(Cl)ccc2C)c1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is UHOWXAYXDOONNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-5-22-13(3)14(9-19-22)10-21(4)11-17(23)20-16-8-15(18)7-6-12(16)2/h6-9H,5,10-11H2,1-4H3,(H,20,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 334.85 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 22194169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).