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

C27H27N3O2 — CID 19400976

IUPAC3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1cccc(Cn2ccc(NC(=O)c3cccc(COc4cc(C)ccc4C)c3)n2)c1
InChIInChI=1S/C27H27N3O2/c1-19-6-4-7-22(14-19)17-30-13-12-26(29-30)28-27(31)24-9-5-8-23(16-24)18-32-25-15-20(2)10-11-21(25)3/h4-16H,17-18H2,1-3H3,(H,28,29,31)
InChIKeyDBLYOZURZVVQEQ-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.69
Rot. Bonds7

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

3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19400976) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19400976
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1cccc(Cn2ccc(NC(=O)c3cccc(COc4cc(C)ccc4C)c3)n2)c1
InChIInChI=1S/C27H27N3O2/c1-19-6-4-7-22(14-19)17-30-13-12-26(29-30)28-27(31)24-9-5-8-23(16-24)18-32-25-15-20(2)10-11-21(25)3/h4-16H,17-18H2,1-3H3,(H,28,29,31)
InChIKeyDBLYOZURZVVQEQ-UHFFFAOYSA-N
XLogP5.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19286281
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
3-[(2,4-difluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284664
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
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19403141
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283688
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19272941
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19407721

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 19400976) is 3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is Cc1cccc(Cn2ccc(NC(=O)c3cccc(COc4cc(C)ccc4C)c3)n2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is DBLYOZURZVVQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-19-6-4-7-22(14-19)17-30-13-12-26(29-30)28-27(31)24-9-5-8-23(16-24)18-32-25-15-20(2)10-11-21(25)3/h4-16H,17-18H2,1-3H3,(H,28,29,31).
What are the key properties of 3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19400976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).