N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide

C26H25N3O2 — CID 19286281

IUPACN-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide
SMILESCc1ccc(C)c(OCc2cccc(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)c1
InChIInChI=1S/C26H25N3O2/c1-19-11-12-20(2)24(15-19)31-18-22-9-6-10-23(16-22)26(30)27-25-13-14-29(28-25)17-21-7-4-3-5-8-21/h3-16H,17-18H2,1-2H3,(H,27,28,30)
InChIKeyTYGYAFRXKHTGMX-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.38
Rot. Bonds7

About N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide

N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide (PubChem CID 19286281) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide
PubChem CID19286281
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide
SMILESCc1ccc(C)c(OCc2cccc(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)c1
InChIInChI=1S/C26H25N3O2/c1-19-11-12-20(2)24(15-19)31-18-22-9-6-10-23(16-22)26(30)27-25-13-14-29(28-25)17-21-7-4-3-5-8-21/h3-16H,17-18H2,1-2H3,(H,27,28,30)
InChIKeyTYGYAFRXKHTGMX-UHFFFAOYSA-N
XLogP5.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400976
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19285735
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284551
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19285496
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
3-[(2,4-difluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284664
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283688
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19403141
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19407721
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19272941
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19402779

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide (CID 19286281) is N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide is Cc1ccc(C)c(OCc2cccc(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)c1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide?
The InChIKey is TYGYAFRXKHTGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-19-11-12-20(2)24(15-19)31-18-22-9-6-10-23(16-22)26(30)27-25-13-14-29(28-25)17-21-7-4-3-5-8-21/h3-16H,17-18H2,1-2H3,(H,27,28,30).
What are the key properties of N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide?
N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide has a molecular weight of 411.51 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide is sourced from PubChem (CID 19286281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).