3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide

C27H27N3O2 — CID 19401679

IUPAC3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCc1ccc(OCc2cccc(C(=O)Nc3cnn(Cc4ccc(C)cc4)c3)c2)cc1
InChIInChI=1S/C27H27N3O2/c1-3-21-11-13-26(14-12-21)32-19-23-5-4-6-24(15-23)27(31)29-25-16-28-30(18-25)17-22-9-7-20(2)8-10-22/h4-16,18H,3,17,19H2,1-2H3,(H,29,31)
InChIKeyGTGWGUPMWYNFAE-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.63
Rot. Bonds8

About 3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide

3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19401679) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19401679
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCc1ccc(OCc2cccc(C(=O)Nc3cnn(Cc4ccc(C)cc4)c3)c2)cc1
InChIInChI=1S/C27H27N3O2/c1-3-21-11-13-26(14-12-21)32-19-23-5-4-6-24(15-23)27(31)29-25-16-28-30(18-25)17-22-9-7-20(2)8-10-22/h4-16,18H,3,17,19H2,1-2H3,(H,29,31)
InChIKeyGTGWGUPMWYNFAE-UHFFFAOYSA-N
XLogP5.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide
CID 19403863
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19412693
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400071
3-[(4-ethoxyphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410156
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19404861
4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400060
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19407721
3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338210
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19404020
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19336423
3-[(4-ethoxyphenoxy)methyl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19406354
3-[(4-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 4773923

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide (CID 19401679) is 3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide is CCc1ccc(OCc2cccc(C(=O)Nc3cnn(Cc4ccc(C)cc4)c3)c2)cc1.
What is the InChIKey of 3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is GTGWGUPMWYNFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-3-21-11-13-26(14-12-21)32-19-23-5-4-6-24(15-23)27(31)29-25-16-28-30(18-25)17-22-9-7-20(2)8-10-22/h4-16,18H,3,17,19H2,1-2H3,(H,29,31).
What are the key properties of 3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide?
3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19401679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).