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

C26H24ClN3O3 — CID 19406514

IUPAC4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
SMILESCCc1ccc(OCn2cc(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)cn2)cc1
InChIInChI=1S/C26H24ClN3O3/c1-2-19-5-11-25(12-6-19)33-18-30-16-23(15-28-30)29-26(31)21-7-3-20(4-8-21)17-32-24-13-9-22(27)10-14-24/h3-16H,2,17-18H2,1H3,(H,29,31)
InChIKeyCZDJKRMIGDBLSW-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.97
Rot. Bonds9

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

4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide (PubChem CID 19406514) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
PubChem CID19406514
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
SMILESCCc1ccc(OCn2cc(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)cn2)cc1
InChIInChI=1S/C26H24ClN3O3/c1-2-19-5-11-25(12-6-19)33-18-30-16-23(15-28-30)29-26(31)21-7-3-20(4-8-21)17-32-24-13-9-22(27)10-14-24/h3-16H,2,17-18H2,1H3,(H,29,31)
InChIKeyCZDJKRMIGDBLSW-UHFFFAOYSA-N
XLogP5.97
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408613
4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19406490
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19408812
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19404861
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19408605
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19406519
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19407652
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19406430
2-ethyl-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475482
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19406511
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 19408580

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide (CID 19406514) is 4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide is CCc1ccc(OCn2cc(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)cn2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide?
The InChIKey is CZDJKRMIGDBLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-2-19-5-11-25(12-6-19)33-18-30-16-23(15-28-30)29-26(31)21-7-3-20(4-8-21)17-32-24-13-9-22(27)10-14-24/h3-16H,2,17-18H2,1H3,(H,29,31).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide?
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide has a molecular weight of 461.95 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19406514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).