3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide

C17H23N3O — CID 50977193

IUPAC3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCc1cc(C)cc(CCC(=O)N(C)CCc2cn[nH]c2)c1
InChIInChI=1S/C17H23N3O/c1-13-8-14(2)10-15(9-13)4-5-17(21)20(3)7-6-16-11-18-19-12-16/h8-12H,4-7H2,1-3H3,(H,18,19)
InChIKeyKJZWAIILKQZVQA-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.66
Rot. Bonds6

About 3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide

3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 50977193) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID50977193
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCc1cc(C)cc(CCC(=O)N(C)CCc2cn[nH]c2)c1
InChIInChI=1S/C17H23N3O/c1-13-8-14(2)10-15(9-13)4-5-17(21)20(3)7-6-16-11-18-19-12-16/h8-12H,4-7H2,1-3H3,(H,18,19)
InChIKeyKJZWAIILKQZVQA-UHFFFAOYSA-N
XLogP2.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide (CID 50977193) is 3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide is Cc1cc(C)cc(CCC(=O)N(C)CCc2cn[nH]c2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is KJZWAIILKQZVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-8-14(2)10-15(9-13)4-5-17(21)20(3)7-6-16-11-18-19-12-16/h8-12H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 50977193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).