2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

C16H21N3O2 — CID 110731154

IUPAC2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H21N3O2/c1-11-15(12(2)19(3)18-11)10-17-16(20)9-13-6-5-7-14(8-13)21-4/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyDBYJELJPZJSOPS-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.90
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 110731154) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
PubChem CID110731154
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H21N3O2/c1-11-15(12(2)19(3)18-11)10-17-16(20)9-13-6-5-7-14(8-13)21-4/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyDBYJELJPZJSOPS-UHFFFAOYSA-N
XLogP1.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 38234356
2-(3-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588667
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 134700057
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 79036776
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
2-(3-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]acetamide
CID 53148124
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 51278295
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 110731154) is 2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is COc1cccc(CC(=O)NCc2c(C)nn(C)c2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is DBYJELJPZJSOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-15(12(2)19(3)18-11)10-17-16(20)9-13-6-5-7-14(8-13)21-4/h5-8H,9-10H2,1-4H3,(H,17,20).
What are the key properties of 2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 110731154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).