N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide

C15H19N3O — CID 35532861

IUPACN-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCc1cnn(C)c1
InChIInChI=1S/C15H19N3O/c1-3-13-6-4-5-7-14(13)17-15(19)9-8-12-10-16-18(2)11-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,19)
InChIKeySLUVBJWKAOYFJK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.55
Rot. Bonds5

About N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide

N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 35532861) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID35532861
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCc1cnn(C)c1
InChIInChI=1S/C15H19N3O/c1-3-13-6-4-5-7-14(13)17-15(19)9-8-12-10-16-18(2)11-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,19)
InChIKeySLUVBJWKAOYFJK-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide (CID 35532861) is N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide is CCc1ccccc1NC(=O)CCc1cnn(C)c1.
What is the InChIKey of N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is SLUVBJWKAOYFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-13-6-4-5-7-14(13)17-15(19)9-8-12-10-16-18(2)11-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 35532861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).