(3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide

C17H23N3O2 — CID 40793328

IUPAC(3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
SMILESCOc1ccc(NC(=O)C[C@@H](C)n2nc(C)c(C)c2C)cc1
InChIInChI=1S/C17H23N3O2/c1-11(20-14(4)12(2)13(3)19-20)10-17(21)18-15-6-8-16(22-5)9-7-15/h6-9,11H,10H2,1-5H3,(H,18,21)/t11-/m1/s1
InChIKeyDFPLDPZFDFEZQE-LLVKDONJSA-N
MW301.39 g/mol
LogP3.41
Rot. Bonds5

About (3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide

(3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide (PubChem CID 40793328) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
PubChem CID40793328
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
SMILESCOc1ccc(NC(=O)C[C@@H](C)n2nc(C)c(C)c2C)cc1
InChIInChI=1S/C17H23N3O2/c1-11(20-14(4)12(2)13(3)19-20)10-17(21)18-15-6-8-16(22-5)9-7-15/h6-9,11H,10H2,1-5H3,(H,18,21)/t11-/m1/s1
InChIKeyDFPLDPZFDFEZQE-LLVKDONJSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
CID 8722005
(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708151
(3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
CID 8741284
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943425
3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide
CID 15943628
N-(4-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760150
2-(4-methoxyphenoxy)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122310896
2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305937
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
CID 10752233
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
(3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide
CID 102109179

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The IUPAC name of (3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide (CID 40793328) is (3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The canonical SMILES for (3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide is COc1ccc(NC(=O)C[C@@H](C)n2nc(C)c(C)c2C)cc1.
What is the InChIKey of (3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The InChIKey is DFPLDPZFDFEZQE-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11(20-14(4)12(2)13(3)19-20)10-17(21)18-15-6-8-16(22-5)9-7-15/h6-9,11H,10H2,1-5H3,(H,18,21)/t11-/m1/s1.
What are the key properties of (3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
(3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide has a molecular weight of 301.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 40793328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).