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

C18H25N3O — CID 110716798

IUPAC3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
SMILESCc1ccccc1CCC(=O)NCCn1nc(C)c(C)c1C
InChIInChI=1S/C18H25N3O/c1-13-7-5-6-8-17(13)9-10-18(22)19-11-12-21-16(4)14(2)15(3)20-21/h5-8H,9-12H2,1-4H3,(H,19,22)
InChIKeyQPXXWAFABSOAGP-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.87
Rot. Bonds6

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

3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide (PubChem CID 110716798) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
PubChem CID110716798
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
SMILESCc1ccccc1CCC(=O)NCCn1nc(C)c(C)c1C
InChIInChI=1S/C18H25N3O/c1-13-7-5-6-8-17(13)9-10-18(22)19-11-12-21-16(4)14(2)15(3)20-21/h5-8H,9-12H2,1-4H3,(H,19,22)
InChIKeyQPXXWAFABSOAGP-UHFFFAOYSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 110716769
2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716730
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79756144
2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716746
N-(3-iodopropyl)-3-(2-methylphenyl)propanamide
CID 114504156
3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide
CID 110716795
N-(3-bromopropyl)-3-(2-methylphenyl)propanamide
CID 62365536
2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716759
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121059030
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide (CID 110716798) is 3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide is Cc1ccccc1CCC(=O)NCCn1nc(C)c(C)c1C.
What is the InChIKey of 3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
The InChIKey is QPXXWAFABSOAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-7-5-6-8-17(13)9-10-18(22)19-11-12-21-16(4)14(2)15(3)20-21/h5-8H,9-12H2,1-4H3,(H,19,22).
What are the key properties of 3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide has a molecular weight of 299.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 110716798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).