3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide

C16H21N3O3 — CID 47079617

IUPAC3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
SMILESCCc1cc(NC(=O)CCc2cc(OC)ccc2OC)n[nH]1
InChIInChI=1S/C16H21N3O3/c1-4-12-10-15(19-18-12)17-16(20)8-5-11-9-13(21-2)6-7-14(11)22-3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyGFDQJHFGYQYDJM-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.56
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide

3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide (PubChem CID 47079617) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
PubChem CID47079617
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
SMILESCCc1cc(NC(=O)CCc2cc(OC)ccc2OC)n[nH]1
InChIInChI=1S/C16H21N3O3/c1-4-12-10-15(19-18-12)17-16(20)8-5-11-9-13(21-2)6-7-14(11)22-3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyGFDQJHFGYQYDJM-UHFFFAOYSA-N
XLogP2.56
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 47423285
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CID 112687144
3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide
CID 86865604
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
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3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
3-(4-ethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
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3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 115593810
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750
N-(5-ethyl-1H-pyrazol-3-yl)-3-pyridin-3-ylpropanamide
CID 47423313

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide (CID 47079617) is 3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide is CCc1cc(NC(=O)CCc2cc(OC)ccc2OC)n[nH]1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is GFDQJHFGYQYDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-12-10-15(19-18-12)17-16(20)8-5-11-9-13(21-2)6-7-14(11)22-3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide?
3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 303.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 47079617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).