3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide

C15H19N3O2 — CID 86786097

IUPAC3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(O)cc1)c1cnn(C)c1
InChIInChI=1S/C15H19N3O2/c1-11(13-9-16-18(2)10-13)17-15(20)8-5-12-3-6-14(19)7-4-12/h3-4,6-7,9-11,19H,5,8H2,1-2H3,(H,17,20)
InChIKeyLIRWHNGJVIHZOM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.94
Rot. Bonds5

About 3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide

3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide (PubChem CID 86786097) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide
PubChem CID86786097
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(O)cc1)c1cnn(C)c1
InChIInChI=1S/C15H19N3O2/c1-11(13-9-16-18(2)10-13)17-15(20)8-5-12-3-6-14(19)7-4-12/h3-4,6-7,9-11,19H,5,8H2,1-2H3,(H,17,20)
InChIKeyLIRWHNGJVIHZOM-UHFFFAOYSA-N
XLogP1.94
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide (CID 86786097) is 3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide is CC(NC(=O)CCc1ccc(O)cc1)c1cnn(C)c1.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is LIRWHNGJVIHZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(13-9-16-18(2)10-13)17-15(20)8-5-12-3-6-14(19)7-4-12/h3-4,6-7,9-11,19H,5,8H2,1-2H3,(H,17,20).
What are the key properties of 3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide?
3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 86786097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).