(2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide

C16H19N3O3 — CID 95147907

IUPAC(2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide
SMILESCC(=O)c1c(C)nn(-c2ccc(O[C@H](C)C(N)=O)cc2)c1C
InChIInChI=1S/C16H19N3O3/c1-9-15(11(3)20)10(2)19(18-9)13-5-7-14(8-6-13)22-12(4)16(17)21/h5-8,12H,1-4H3,(H2,17,21)/t12-/m1/s1
InChIKeyKEGGFUQPMRTNDV-GFCCVEGCSA-N
MW301.35 g/mol
LogP1.94
Rot. Bonds5

About (2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide

(2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide (PubChem CID 95147907) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide
PubChem CID95147907
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide
SMILESCC(=O)c1c(C)nn(-c2ccc(O[C@H](C)C(N)=O)cc2)c1C
InChIInChI=1S/C16H19N3O3/c1-9-15(11(3)20)10(2)19(18-9)13-5-7-14(8-6-13)22-12(4)16(17)21/h5-8,12H,1-4H3,(H2,17,21)/t12-/m1/s1
InChIKeyKEGGFUQPMRTNDV-GFCCVEGCSA-N
XLogP1.94
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 163209351
2-(4-pyrimidin-2-yloxyphenoxy)propanamide
CID 133330250
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate
CID 1234267
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55385283
2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503658
(4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 51868857
(2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide
CID 51959268
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833656
2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082830
1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 24712291
1-(4-fluorophenyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 52777542

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide?
The IUPAC name of (2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide (CID 95147907) is (2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for (2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide?
The canonical SMILES for (2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide is CC(=O)c1c(C)nn(-c2ccc(O[C@H](C)C(N)=O)cc2)c1C.
What is the InChIKey of (2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide?
The InChIKey is KEGGFUQPMRTNDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9-15(11(3)20)10(2)19(18-9)13-5-7-14(8-6-13)22-12(4)16(17)21/h5-8,12H,1-4H3,(H2,17,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide?
(2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide has a molecular weight of 301.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 95147907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).