N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide

C16H21N3O2 — CID 43397481

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C16H21N3O2/c1-10(2)13-5-7-14(8-6-13)21-9-15(20)17-16-11(3)18-19-12(16)4/h5-8,10H,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyNFNGRYNWFVAYGS-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.17
Rot. Bonds5

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 43397481) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID43397481
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C16H21N3O2/c1-10(2)13-5-7-14(8-6-13)21-9-15(20)17-16-11(3)18-19-12(16)4/h5-8,10H,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyNFNGRYNWFVAYGS-UHFFFAOYSA-N
XLogP3.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 55124971
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 78767751
2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43397496
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-propan-2-yloxyacetamide
CID 112687011
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-hydroxyphenoxy)acetamide
CID 43546519
N-(2-amino-4,6-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56773293
4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 43399152
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide
CID 9113461
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17336026
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide (CID 43397481) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide is Cc1n[nH]c(C)c1NC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is NFNGRYNWFVAYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)13-5-7-14(8-6-13)21-9-15(20)17-16-11(3)18-19-12(16)4/h5-8,10H,9H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 287.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 43397481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).