N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide

C24H23N3O3 — CID 55660962

IUPACN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C24H23N3O3/c28-24(22-9-7-19(8-10-22)16-27-12-3-11-26-27)25-15-20-4-1-5-21(14-20)17-29-18-23-6-2-13-30-23/h1-14H,15-18H2,(H,25,28)
InChIKeyFNVQBNVIPYDZDG-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.17
Rot. Bonds9

About N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 55660962) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID55660962
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C24H23N3O3/c28-24(22-9-7-19(8-10-22)16-27-12-3-11-26-27)25-15-20-4-1-5-21(14-20)17-29-18-23-6-2-13-30-23/h1-14H,15-18H2,(H,25,28)
InChIKeyFNVQBNVIPYDZDG-UHFFFAOYSA-N
XLogP4.17
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide
CID 46434217
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56812373
N-[(2-methoxy-4-pyridinyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 47019691
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
N-[3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46470414
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(propanoylamino)benzamide
CID 55842112
4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 55660950
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39171548
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 86855433

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 55660962) is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide is O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is FNVQBNVIPYDZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-24(22-9-7-19(8-10-22)16-27-12-3-11-26-27)25-15-20-4-1-5-21(14-20)17-29-18-23-6-2-13-30-23/h1-14H,15-18H2,(H,25,28).
What are the key properties of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 55660962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).