N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide

C17H23N3O2 — CID 110716692

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCCn2nc(C)cc2C)c1
InChIInChI=1S/C17H23N3O2/c1-13-11-14(2)20(19-13)10-9-18-17(21)8-7-15-5-4-6-16(12-15)22-3/h4-6,11-12H,7-10H2,1-3H3,(H,18,21)
InChIKeyWRCXAGYKAZGAMU-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.26
Rot. Bonds7

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide (PubChem CID 110716692) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide
PubChem CID110716692
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCCn2nc(C)cc2C)c1
InChIInChI=1S/C17H23N3O2/c1-13-11-14(2)20(19-13)10-9-18-17(21)8-7-15-5-4-6-16(12-15)22-3/h4-6,11-12H,7-10H2,1-3H3,(H,18,21)
InChIKeyWRCXAGYKAZGAMU-UHFFFAOYSA-N
XLogP2.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38159279
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 82110482
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 90508842
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide
CID 110700679
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110720933

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide (CID 110716692) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)NCCn2nc(C)cc2C)c1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is WRCXAGYKAZGAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-11-14(2)20(19-13)10-9-18-17(21)8-7-15-5-4-6-16(12-15)22-3/h4-6,11-12H,7-10H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 110716692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).