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

C16H21N3O2 — CID 8722005

IUPAC(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)C[C@@H](C)n2nc(C)cc2C)cc1
InChIInChI=1S/C16H21N3O2/c1-11-9-12(2)19(18-11)13(3)10-16(20)17-14-5-7-15(21-4)8-6-14/h5-9,13H,10H2,1-4H3,(H,17,20)/t13-/m1/s1
InChIKeyRVCMEFLXYOHMRP-CYBMUJFWSA-N
MW287.36 g/mol
LogP3.10
Rot. Bonds5

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

(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide (PubChem CID 8722005) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
PubChem CID8722005
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)C[C@@H](C)n2nc(C)cc2C)cc1
InChIInChI=1S/C16H21N3O2/c1-11-9-12(2)19(18-11)13(3)10-16(20)17-14-5-7-15(21-4)8-6-14/h5-9,13H,10H2,1-4H3,(H,17,20)/t13-/m1/s1
InChIKeyRVCMEFLXYOHMRP-CYBMUJFWSA-N
XLogP3.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide
CID 15943628
N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46339574
(3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
CID 40793328
3-[4-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]propanoic acid
CID 119252268
(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708151
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46972105
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenoxy]acetic acid
CID 119224731
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 92693235
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-3-(3,5-dimethylpyrazol-1-yl)butanoate
CID 7470771
(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92708113
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]acetic acid
CID 119351659
(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693220

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide?
The IUPAC name of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide (CID 8722005) is (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide is COc1ccc(NC(=O)C[C@@H](C)n2nc(C)cc2C)cc1.
What is the InChIKey of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide?
The InChIKey is RVCMEFLXYOHMRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-9-12(2)19(18-11)13(3)10-16(20)17-14-5-7-15(21-4)8-6-14/h5-9,13H,10H2,1-4H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide?
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide has a molecular weight of 287.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 8722005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).