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

C17H23N3O3 — CID 46339574

IUPACN-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)n2nc(C)cc2C)cc1OC
InChIInChI=1S/C17H23N3O3/c1-11-8-12(2)20(19-11)13(3)9-17(21)18-14-6-7-15(22-4)16(10-14)23-5/h6-8,10,13H,9H2,1-5H3,(H,18,21)
InChIKeyBQUUQTMMOJFBBK-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.11
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 46339574) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID46339574
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)n2nc(C)cc2C)cc1OC
InChIInChI=1S/C17H23N3O3/c1-11-8-12(2)20(19-11)13(3)9-17(21)18-14-6-7-15(22-4)16(10-14)23-5/h6-8,10,13H,9H2,1-5H3,(H,18,21)
InChIKeyBQUUQTMMOJFBBK-UHFFFAOYSA-N
XLogP3.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
CID 8722005
3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide
CID 15943628
3-[4-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]propanoic acid
CID 119252268
(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
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenoxy]acetic acid
CID 119224731
(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693220
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693197
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999279
3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide
CID 46339616
2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]-3-methylbutanoic acid
CID 119169990

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide (CID 46339574) is N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide is COc1ccc(NC(=O)CC(C)n2nc(C)cc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is BQUUQTMMOJFBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-8-12(2)20(19-11)13(3)9-17(21)18-14-6-7-15(22-4)16(10-14)23-5/h6-8,10,13H,9H2,1-5H3,(H,18,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 317.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 46339574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).