N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide

C16H21N3O — CID 122159302

IUPACN-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(CC(=O)NCc2ccn(C)n2)c(C)c1
InChIInChI=1S/C16H21N3O/c1-11-7-12(2)15(13(3)8-11)9-16(20)17-10-14-5-6-19(4)18-14/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyYDVVYCZHOOOIGM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.20
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide

N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide (PubChem CID 122159302) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide
PubChem CID122159302
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(CC(=O)NCc2ccn(C)n2)c(C)c1
InChIInChI=1S/C16H21N3O/c1-11-7-12(2)15(13(3)8-11)9-16(20)17-10-14-5-6-19(4)18-14/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyYDVVYCZHOOOIGM-UHFFFAOYSA-N
XLogP2.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide
CID 146124161
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207763

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide (CID 122159302) is N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(CC(=O)NCc2ccn(C)n2)c(C)c1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is YDVVYCZHOOOIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-7-12(2)15(13(3)8-11)9-16(20)17-10-14-5-6-19(4)18-14/h5-8H,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide?
N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 122159302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).