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

C17H23N3O — CID 20950804

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)C(C)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C17H23N3O/c1-11-5-7-15(8-6-11)9-10-18-17(21)12(2)16-13(3)19-20-14(16)4/h5-8,12H,9-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyZWXCUIXEJOAFTG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.80
Rot. Bonds5

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 20950804) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID20950804
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)C(C)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C17H23N3O/c1-11-5-7-15(8-6-11)9-10-18-17(21)12(2)16-13(3)19-20-14(16)4/h5-8,12H,9-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyZWXCUIXEJOAFTG-UHFFFAOYSA-N
XLogP2.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide (CID 20950804) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide is Cc1ccc(CCNC(=O)C(C)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is ZWXCUIXEJOAFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-5-7-15(8-6-11)9-10-18-17(21)12(2)16-13(3)19-20-14(16)4/h5-8,12H,9-10H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 20950804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).