N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide

C17H17N3O2 — CID 110210706

IUPACN-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide
SMILESCC(C(=O)NCc1ccco1)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H17N3O2/c1-13(17(21)18-11-16-8-5-9-22-16)20-12-15(10-19-20)14-6-3-2-4-7-14/h2-10,12-13H,11H2,1H3,(H,18,21)
InChIKeyKEWKZCWXQCANLW-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.02
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide

N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide (PubChem CID 110210706) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide
PubChem CID110210706
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide
SMILESCC(C(=O)NCc1ccco1)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H17N3O2/c1-13(17(21)18-11-16-8-5-9-22-16)20-12-15(10-19-20)14-6-3-2-4-7-14/h2-10,12-13H,11H2,1H3,(H,18,21)
InChIKeyKEWKZCWXQCANLW-UHFFFAOYSA-N
XLogP3.02
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534412
N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 4918403
(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 100830781
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide
CID 63338077
2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide
CID 19536831
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
(2R)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938376
2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504711
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
1-[1-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506277
N-(furan-2-ylmethyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 47010968
N-(furan-2-ylmethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyridine-2-carboxamide
CID 143763267

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide (CID 110210706) is N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide is CC(C(=O)NCc1ccco1)n1cc(-c2ccccc2)cn1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide?
The InChIKey is KEWKZCWXQCANLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13(17(21)18-11-16-8-5-9-22-16)20-12-15(10-19-20)14-6-3-2-4-7-14/h2-10,12-13H,11H2,1H3,(H,18,21).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide?
N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide is sourced from PubChem (CID 110210706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).