N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide

C27H27N3O3 — CID 19337507

IUPACN-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide
SMILESCCOc1ccc(OCc2cccc(C(=O)Nc3cc(C)n(Cc4ccccc4)n3)c2)cc1
InChIInChI=1S/C27H27N3O3/c1-3-32-24-12-14-25(15-13-24)33-19-22-10-7-11-23(17-22)27(31)28-26-16-20(2)30(29-26)18-21-8-5-4-6-9-21/h4-17H,3,18-19H2,1-2H3,(H,28,29,31)
InChIKeyHZOFIXFAGVNNQK-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.47
Rot. Bonds9

About N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide

N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide (PubChem CID 19337507) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide
PubChem CID19337507
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide
SMILESCCOc1ccc(OCc2cccc(C(=O)Nc3cc(C)n(Cc4ccccc4)n3)c2)cc1
InChIInChI=1S/C27H27N3O3/c1-3-32-24-12-14-25(15-13-24)33-19-22-10-7-11-23(17-22)27(31)28-26-16-20(2)30(29-26)18-21-8-5-4-6-9-21/h4-17H,3,18-19H2,1-2H3,(H,28,29,31)
InChIKeyHZOFIXFAGVNNQK-UHFFFAOYSA-N
XLogP5.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenoxy)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345780
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19345492
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[(4-nitrophenoxy)methyl]benzamide
CID 19339553
3-[(4-ethoxyphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19409671
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19411485
3-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19409574
N-(1-benzyl-5-methylpyrazol-3-yl)-3-nitrobenzamide
CID 19337445
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-[(4-ethoxyphenoxy)methyl]benzamide
CID 19394593
3-[(4-ethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394881
methyl 4-[[5-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19337567
N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-3-[(4-ethoxyphenoxy)methyl]benzamide
CID 19402000
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19393000

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide?
The IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide (CID 19337507) is N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide is CCOc1ccc(OCc2cccc(C(=O)Nc3cc(C)n(Cc4ccccc4)n3)c2)cc1.
What is the InChIKey of N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide?
The InChIKey is HZOFIXFAGVNNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-3-32-24-12-14-25(15-13-24)33-19-22-10-7-11-23(17-22)27(31)28-26-16-20(2)30(29-26)18-21-8-5-4-6-9-21/h4-17H,3,18-19H2,1-2H3,(H,28,29,31).
What are the key properties of N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide?
N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 19337507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).