N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide

C16H21N3O2 — CID 119055389

IUPACN-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
SMILESCC(C)CNC(=O)COc1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C16H21N3O2/c1-12(2)8-17-16(20)11-21-15-6-4-13(5-7-15)14-9-18-19(3)10-14/h4-7,9-10,12H,8,11H2,1-3H3,(H,17,20)
InChIKeyAQJANHWZAQUKGX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.24
Rot. Bonds6

About N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide

N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide (PubChem CID 119055389) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
PubChem CID119055389
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
SMILESCC(C)CNC(=O)COc1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C16H21N3O2/c1-12(2)8-17-16(20)11-21-15-6-4-13(5-7-15)14-9-18-19(3)10-14/h4-7,9-10,12H,8,11H2,1-3H3,(H,17,20)
InChIKeyAQJANHWZAQUKGX-UHFFFAOYSA-N
XLogP2.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 119055385
2-(4-methylphenoxy)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196371
N-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804964
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
2-(4-fluorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274335
2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274351
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 47045575
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 113323047

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide (CID 119055389) is N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide is CC(C)CNC(=O)COc1ccc(-c2cnn(C)c2)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The InChIKey is AQJANHWZAQUKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)8-17-16(20)11-21-15-6-4-13(5-7-15)14-9-18-19(3)10-14/h4-7,9-10,12H,8,11H2,1-3H3,(H,17,20).
What are the key properties of N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide?
N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 119055389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).