N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide

C16H16N4O — CID 75432738

IUPACN-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide
SMILESO=C(CCn1cc(-n2cccc2)cn1)Nc1ccccc1
InChIInChI=1S/C16H16N4O/c21-16(18-14-6-2-1-3-7-14)8-11-20-13-15(12-17-20)19-9-4-5-10-19/h1-7,9-10,12-13H,8,11H2,(H,18,21)
InChIKeyWDGKAKCEDLZEGL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.70
Rot. Bonds5

About N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide

N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide (PubChem CID 75432738) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide
PubChem CID75432738
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide
SMILESO=C(CCn1cc(-n2cccc2)cn1)Nc1ccccc1
InChIInChI=1S/C16H16N4O/c21-16(18-14-6-2-1-3-7-14)8-11-20-13-15(12-17-20)19-9-4-5-10-19/h1-7,9-10,12-13H,8,11H2,(H,18,21)
InChIKeyWDGKAKCEDLZEGL-UHFFFAOYSA-N
XLogP2.70
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide?
The IUPAC name of N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide (CID 75432738) is N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide?
The canonical SMILES for N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide is O=C(CCn1cc(-n2cccc2)cn1)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide?
The InChIKey is WDGKAKCEDLZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16(18-14-6-2-1-3-7-14)8-11-20-13-15(12-17-20)19-9-4-5-10-19/h1-7,9-10,12-13H,8,11H2,(H,18,21).
What are the key properties of N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide?
N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(4-pyrrol-1-ylpyrazol-1-yl)propanamide is sourced from PubChem (CID 75432738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).