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

C17H23N3O2 — CID 15943628

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(NC(=O)CC(C)n2nc(C)cc2C)cc1
InChIInChI=1S/C17H23N3O2/c1-5-22-16-8-6-15(7-9-16)18-17(21)11-14(4)20-13(3)10-12(2)19-20/h6-10,14H,5,11H2,1-4H3,(H,18,21)
InChIKeySQEVQBDXGVGKJH-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.49
Rot. Bonds6

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

3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide (PubChem CID 15943628) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide
PubChem CID15943628
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(NC(=O)CC(C)n2nc(C)cc2C)cc1
InChIInChI=1S/C17H23N3O2/c1-5-22-16-8-6-15(7-9-16)18-17(21)11-14(4)20-13(3)10-12(2)19-20/h6-10,14H,5,11H2,1-4H3,(H,18,21)
InChIKeySQEVQBDXGVGKJH-UHFFFAOYSA-N
XLogP3.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.49
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
3-[4-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]propanoic acid
CID 119252268
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenoxy]acetic acid
CID 119224731
N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 15943640
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130
(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
ethyl 4-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]carbamoylamino]benzoate
CID 125179536
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea
CID 97444689
(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693197
3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide
CID 46339616

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide (CID 15943628) is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide is CCOc1ccc(NC(=O)CC(C)n2nc(C)cc2C)cc1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide?
The InChIKey is SQEVQBDXGVGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-22-16-8-6-15(7-9-16)18-17(21)11-14(4)20-13(3)10-12(2)19-20/h6-10,14H,5,11H2,1-4H3,(H,18,21).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide has a molecular weight of 301.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide is sourced from PubChem (CID 15943628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).