N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide

C18H19N3O3 — CID 146080673

IUPACN-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1ccc(-c2ccnn2C)o1
InChIInChI=1S/C18H19N3O3/c1-13(23-14-6-4-3-5-7-14)18(22)19-12-15-8-9-17(24-15)16-10-11-20-21(16)2/h3-11,13H,12H2,1-2H3,(H,19,22)
InChIKeyMINFRWMXMMYILX-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.76
Rot. Bonds6

About N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide

N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide (PubChem CID 146080673) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide
PubChem CID146080673
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1ccc(-c2ccnn2C)o1
InChIInChI=1S/C18H19N3O3/c1-13(23-14-6-4-3-5-7-14)18(22)19-12-15-8-9-17(24-15)16-10-11-20-21(16)2/h3-11,13H,12H2,1-2H3,(H,19,22)
InChIKeyMINFRWMXMMYILX-UHFFFAOYSA-N
XLogP2.76
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
CID 129417789
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide
CID 97042298
N-ethyl-2-phenoxypropanamide
CID 4282518
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
5-[[2-(3-propan-2-ylphenoxy)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246296
2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 46431766
(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide
CID 95368385
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide?
The IUPAC name of N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide (CID 146080673) is N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCc1ccc(-c2ccnn2C)o1.
What is the InChIKey of N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide?
The InChIKey is MINFRWMXMMYILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(23-14-6-4-3-5-7-14)18(22)19-12-15-8-9-17(24-15)16-10-11-20-21(16)2/h3-11,13H,12H2,1-2H3,(H,19,22).
What are the key properties of N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide?
N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide has a molecular weight of 325.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide is sourced from PubChem (CID 146080673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).