(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide

C15H19N3O2 — CID 92708151

IUPAC(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCOc1ccc(NC(=O)C[C@@H](C)n2ccc(C)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-11-8-9-18(17-11)12(2)10-15(19)16-13-4-6-14(20-3)7-5-13/h4-9,12H,10H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyZJEJCOFPCHIXDS-GFCCVEGCSA-N
MW273.34 g/mol
LogP2.79
Rot. Bonds5

About (3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide

(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide (PubChem CID 92708151) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
PubChem CID92708151
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCOc1ccc(NC(=O)C[C@@H](C)n2ccc(C)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-11-8-9-18(17-11)12(2)10-15(19)16-13-4-6-14(20-3)7-5-13/h4-9,12H,10H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyZJEJCOFPCHIXDS-GFCCVEGCSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708150
(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708178
(3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708194
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
CID 8722005
(3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
CID 40793328
(3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 92708147
N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 46339700
2-(4-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35590496
N-(4-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760150
N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 15943640
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
CID 10752233

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The IUPAC name of (3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide (CID 92708151) is (3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The canonical SMILES for (3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide is COc1ccc(NC(=O)C[C@@H](C)n2ccc(C)n2)cc1.
What is the InChIKey of (3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The InChIKey is ZJEJCOFPCHIXDS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-8-9-18(17-11)12(2)10-15(19)16-13-4-6-14(20-3)7-5-13/h4-9,12H,10H2,1-3H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide has a molecular weight of 273.34 g/mol, XLogP of 2.79, 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-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 92708151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).