3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide

C30H27N3O2 — CID 19397968

IUPAC3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C)c(OCc2cccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)c2)c1
InChIInChI=1S/C30H27N3O2/c1-21-13-14-22(2)29(15-21)35-20-23-7-5-10-25(16-23)30(34)32-27-17-31-33(19-27)18-26-11-6-9-24-8-3-4-12-28(24)26/h3-17,19H,18,20H2,1-2H3,(H,32,34)
InChIKeyGDISXTZYVAIAGR-UHFFFAOYSA-N
MW461.57 g/mol
LogP6.53
Rot. Bonds7

About 3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide

3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide (PubChem CID 19397968) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
PubChem CID19397968
Molecular FormulaC30H27N3O2
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC Name3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C)c(OCc2cccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)c2)c1
InChIInChI=1S/C30H27N3O2/c1-21-13-14-22(2)29(15-21)35-20-23-7-5-10-25(16-23)30(34)32-27-17-31-33(19-27)18-26-11-6-9-24-8-3-4-12-28(24)26/h3-17,19H,18,20H2,1-2H3,(H,32,34)
InChIKeyGDISXTZYVAIAGR-UHFFFAOYSA-N
XLogP6.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19471638
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19407721
1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272826
3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346434
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400071
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19404020
3-[(2,4-dimethylphenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411053
3-[(4-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 4773923
4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397955
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399869
N-(1-benzylpyrazol-4-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471631
3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290692

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide (CID 19397968) is 3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide is Cc1ccc(C)c(OCc2cccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)c2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
The InChIKey is GDISXTZYVAIAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O2/c1-21-13-14-22(2)29(15-21)35-20-23-7-5-10-25(16-23)30(34)32-27-17-31-33(19-27)18-26-11-6-9-24-8-3-4-12-28(24)26/h3-17,19H,18,20H2,1-2H3,(H,32,34).
What are the key properties of 3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide has a molecular weight of 461.57 g/mol, XLogP of 6.53, 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-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19397968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).