N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide

C16H21N3O3 — CID 46339644

IUPACN-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)n2ccc(C)n2)c(OC)c1
InChIInChI=1S/C16H21N3O3/c1-11-7-8-19(18-11)12(2)9-16(20)17-14-6-5-13(21-3)10-15(14)22-4/h5-8,10,12H,9H2,1-4H3,(H,17,20)
InChIKeyCFAZBGKWZJVURU-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.80
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide

N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide (PubChem CID 46339644) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
PubChem CID46339644
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)n2ccc(C)n2)c(OC)c1
InChIInChI=1S/C16H21N3O3/c1-11-7-8-19(18-11)12(2)9-16(20)17-14-6-5-13(21-3)10-15(14)22-4/h5-8,10,12H,9H2,1-4H3,(H,17,20)
InChIKeyCFAZBGKWZJVURU-UHFFFAOYSA-N
XLogP2.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708151
(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708150
N-(2,4-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663376
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanamide
CID 110297262
(3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708194
N-(2,4-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71683654
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323922
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709504
N-(2,4-dimethoxyphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 17415208
N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide
CID 141249882
(2S)-4-(2,4-dimethoxyanilino)-4-oxo-2-(propylazaniumyl)butanoate
CID 7591939

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide (CID 46339644) is N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide is COc1ccc(NC(=O)CC(C)n2ccc(C)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The InChIKey is CFAZBGKWZJVURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-7-8-19(18-11)12(2)9-16(20)17-14-6-5-13(21-3)10-15(14)22-4/h5-8,10,12H,9H2,1-4H3,(H,17,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide?
N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide has a molecular weight of 303.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 46339644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).