N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide

C16H21N3O3 — CID 43843335

IUPACN-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCCC(C)n1nccc1NC(=O)COc1ccc(OC)cc1
InChIInChI=1S/C16H21N3O3/c1-4-12(2)19-15(9-10-17-19)18-16(20)11-22-14-7-5-13(21-3)6-8-14/h5-10,12H,4,11H2,1-3H3,(H,18,20)
InChIKeyVVXMCVBDDOABOK-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.88
Rot. Bonds7

About N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide

N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 43843335) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID43843335
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCCC(C)n1nccc1NC(=O)COc1ccc(OC)cc1
InChIInChI=1S/C16H21N3O3/c1-4-12(2)19-15(9-10-17-19)18-16(20)11-22-14-7-5-13(21-3)6-8-14/h5-10,12H,4,11H2,1-3H3,(H,18,20)
InChIKeyVVXMCVBDDOABOK-UHFFFAOYSA-N
XLogP2.88
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-chlorophenoxy)acetamide
CID 42387509
2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097263
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 78778333
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063488
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 46685975
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
2-(4-chlorophenoxy)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]acetamide
CID 29339507
N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide (CID 43843335) is N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide is CCC(C)n1nccc1NC(=O)COc1ccc(OC)cc1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is VVXMCVBDDOABOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-12(2)19-15(9-10-17-19)18-16(20)11-22-14-7-5-13(21-3)6-8-14/h5-10,12H,4,11H2,1-3H3,(H,18,20).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide?
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 43843335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).