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

C17H21N3O2 — CID 119055385

IUPACN-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
SMILESCn1cc(-c2ccc(OCC(=O)NC3CCCC3)cc2)cn1
InChIInChI=1S/C17H21N3O2/c1-20-11-14(10-18-20)13-6-8-16(9-7-13)22-12-17(21)19-15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,19,21)
InChIKeySKPPCFBBVNEYEY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.52
Rot. Bonds5

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

N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide (PubChem CID 119055385) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
PubChem CID119055385
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
SMILESCn1cc(-c2ccc(OCC(=O)NC3CCCC3)cc2)cn1
InChIInChI=1S/C17H21N3O2/c1-20-11-14(10-18-20)13-6-8-16(9-7-13)22-12-17(21)19-15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,19,21)
InChIKeySKPPCFBBVNEYEY-UHFFFAOYSA-N
XLogP2.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 119055389
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]ethanone
CID 119055388
2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
N-cycloheptyl-2-(4-propanoylphenoxy)acetamide
CID 2549658

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide (CID 119055385) is N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide is Cn1cc(-c2ccc(OCC(=O)NC3CCCC3)cc2)cn1.
What is the InChIKey of N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The InChIKey is SKPPCFBBVNEYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20-11-14(10-18-20)13-6-8-16(9-7-13)22-12-17(21)19-15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide?
N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 119055385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).