3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide

C17H23N3O2 — CID 15943503

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C17H23N3O2/c1-5-22-16-8-6-15(7-9-16)18-17(21)12(2)11-20-14(4)10-13(3)19-20/h6-10,12H,5,11H2,1-4H3,(H,18,21)
InChIKeyWXUQVPBUNWKPDI-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.17
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide

3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide (PubChem CID 15943503) 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)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide
PubChem CID15943503
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C17H23N3O2/c1-5-22-16-8-6-15(7-9-16)18-17(21)12(2)11-20-14(4)10-13(3)19-20/h6-10,12H,5,11H2,1-4H3,(H,18,21)
InChIKeyWXUQVPBUNWKPDI-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[2-hydroxy-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 5298752
N'-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 6888069
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 19553861
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 2139744
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
N-{4-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]phenyl}acetamide
CID 2962056
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 3245018
1-(tert-butyl)-4-[({[(4-methoxyanilino)carbonyl]oxy}imino)methyl]-3,5-dimethyl-1H-pyrazole
CID 9583471
2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943482
N-(4-methoxyphenyl)-1-[3-(1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 24816914
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-phenoxyphenyl)carbamate
CID 44589916
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-methoxyphenyl)carbamate
CID 44589917

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide (CID 15943503) is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide is CCOc1ccc(NC(=O)C(C)Cn2nc(C)cc2C)cc1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide?
The InChIKey is WXUQVPBUNWKPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-22-16-8-6-15(7-9-16)18-17(21)12(2)11-20-14(4)10-13(3)19-20/h6-10,12H,5,11H2,1-4H3,(H,18,21).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide has a molecular weight of 301.39 g/mol, XLogP of 3.17, 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)-2-methylpropanamide is sourced from PubChem (CID 15943503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).