2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide

C16H21N3O3 — CID 99825759

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(O)c([C@@H](C)NC(=O)Cc2c(C)n[nH]c2C)c1
InChIInChI=1S/C16H21N3O3/c1-9(14-7-12(22-4)5-6-15(14)20)17-16(21)8-13-10(2)18-19-11(13)3/h5-7,9,20H,8H2,1-4H3,(H,17,21)(H,18,19)/t9-/m1/s1
InChIKeyBDZIFECQBDHYPS-SECBINFHSA-N
MW303.36 g/mol
LogP2.16
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide (PubChem CID 99825759) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide
PubChem CID99825759
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(O)c([C@@H](C)NC(=O)Cc2c(C)n[nH]c2C)c1
InChIInChI=1S/C16H21N3O3/c1-9(14-7-12(22-4)5-6-15(14)20)17-16(21)8-13-10(2)18-19-11(13)3/h5-7,9,20H,8H2,1-4H3,(H,17,21)(H,18,19)/t9-/m1/s1
InChIKeyBDZIFECQBDHYPS-SECBINFHSA-N
XLogP2.16
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82780288
ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate
CID 54921188
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9478159
N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95316895
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide
CID 99825884
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide
CID 43545388
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
(1R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376295
N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide
CID 95977791
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
CID 43431213

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide (CID 99825759) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide is COc1ccc(O)c([C@@H](C)NC(=O)Cc2c(C)n[nH]c2C)c1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide?
The InChIKey is BDZIFECQBDHYPS-SECBINFHSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-9(14-7-12(22-4)5-6-15(14)20)17-16(21)8-13-10(2)18-19-11(13)3/h5-7,9,20H,8H2,1-4H3,(H,17,21)(H,18,19)/t9-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 99825759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).