N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide

C14H16BrN3O2 — CID 126833042

IUPACN-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cn(C)nc2Br)c1
InChIInChI=1S/C14H16BrN3O2/c1-9-4-10(2)6-11(5-9)20-8-13(19)16-12-7-18(3)17-14(12)15/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyCEJZLFMJUHPLLA-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.82
Rot. Bonds4

About N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide

N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 126833042) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID126833042
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cn(C)nc2Br)c1
InChIInChI=1S/C14H16BrN3O2/c1-9-4-10(2)6-11(5-9)20-8-13(19)16-12-7-18(3)17-14(12)15/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyCEJZLFMJUHPLLA-UHFFFAOYSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 1326101
methyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748126
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 7784194
N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19173082
2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 107461981
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid
CID 41177576
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 679560
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342415
2-(3,5-dimethylphenoxy)-N-(8-methylquinolin-5-yl)acetamide
CID 38277487
2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
CID 17010772
5-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 17359281

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide (CID 126833042) is N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)Nc2cn(C)nc2Br)c1.
What is the InChIKey of N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is CEJZLFMJUHPLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-9-4-10(2)6-11(5-9)20-8-13(19)16-12-7-18(3)17-14(12)15/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide?
N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 338.21 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-1-methylpyrazol-4-yl)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 126833042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).