(2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H23N3O2 — CID 94796021

IUPAC(2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)c1c(C)nn(C)c1C
InChIInChI=1S/C17H23N3O2/c1-11(16-12(2)19-20(4)13(16)3)17(21)18-10-14-8-6-7-9-15(14)22-5/h6-9,11H,10H2,1-5H3,(H,18,21)/t11-/m1/s1
InChIKeyOFDBUTYYPKGNRY-LLVKDONJSA-N
MW301.39 g/mol
LogP2.47
Rot. Bonds5

About (2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 94796021) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID94796021
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)c1c(C)nn(C)c1C
InChIInChI=1S/C17H23N3O2/c1-11(16-12(2)19-20(4)13(16)3)17(21)18-10-14-8-6-7-9-15(14)22-5/h6-9,11H,10H2,1-5H3,(H,18,21)/t11-/m1/s1
InChIKeyOFDBUTYYPKGNRY-LLVKDONJSA-N
XLogP2.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
2-(2-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105081597
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
2-benzyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 119233623
N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 46963675
2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 95898801
N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 56783461
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 43445280
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 33077344
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55506427
4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 91776202

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 94796021) is (2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1ccccc1CNC(=O)[C@H](C)c1c(C)nn(C)c1C.
What is the InChIKey of (2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is OFDBUTYYPKGNRY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11(16-12(2)19-20(4)13(16)3)17(21)18-10-14-8-6-7-9-15(14)22-5/h6-9,11H,10H2,1-5H3,(H,18,21)/t11-/m1/s1.
What are the key properties of (2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 94796021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).