N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide

C17H23N3O2 — CID 30181870

IUPACN-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccnn2C(C)C)c(C)c1
InChIInChI=1S/C17H23N3O2/c1-11(2)20-15(6-7-18-20)19-16(21)10-22-17-13(4)8-12(3)9-14(17)5/h6-9,11H,10H2,1-5H3,(H,19,21)
InChIKeyQKXXAZVRYRYPKU-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.41
Rot. Bonds5

About N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 30181870) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID30181870
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccnn2C(C)C)c(C)c1
InChIInChI=1S/C17H23N3O2/c1-11(2)20-15(6-7-18-20)19-16(21)10-22-17-13(4)8-12(3)9-14(17)5/h6-9,11H,10H2,1-5H3,(H,19,21)
InChIKeyQKXXAZVRYRYPKU-UHFFFAOYSA-N
XLogP3.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
2-(3,4-dichlorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063528
2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097263
2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 35325113
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-hydroxy-4-methylbenzoate
CID 16619928
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181893
2-(2-benzylphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183419
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083217
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-fluoro-4-methylbenzoate
CID 18092403
2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39903703
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 46685975

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 30181870) is N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2ccnn2C(C)C)c(C)c1.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is QKXXAZVRYRYPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11(2)20-15(6-7-18-20)19-16(21)10-22-17-13(4)8-12(3)9-14(17)5/h6-9,11H,10H2,1-5H3,(H,19,21).
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 301.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 30181870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).