4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide

C27H26ClN3O3 — CID 19406490

IUPAC4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
SMILESCCc1ccc(OCn2cc(NC(=O)c3ccc(COc4cc(C)ccc4Cl)cc3)cn2)cc1
InChIInChI=1S/C27H26ClN3O3/c1-3-20-7-11-24(12-8-20)34-18-31-16-23(15-29-31)30-27(32)22-9-5-21(6-10-22)17-33-26-14-19(2)4-13-25(26)28/h4-16H,3,17-18H2,1-2H3,(H,30,32)
InChIKeyAZDKLOIQSAVPQP-UHFFFAOYSA-N
MW475.98 g/mol
LogP6.28
Rot. Bonds9

About 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide

4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide (PubChem CID 19406490) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
PubChem CID19406490
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC Name4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
SMILESCCc1ccc(OCn2cc(NC(=O)c3ccc(COc4cc(C)ccc4Cl)cc3)cn2)cc1
InChIInChI=1S/C27H26ClN3O3/c1-3-20-7-11-24(12-8-20)34-18-31-16-23(15-29-31)30-27(32)22-9-5-21(6-10-22)17-33-26-14-19(2)4-13-25(26)28/h4-16H,3,17-18H2,1-2H3,(H,30,32)
InChIKeyAZDKLOIQSAVPQP-UHFFFAOYSA-N
XLogP6.28
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19406514
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19404861
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 19336064
4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19406404
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19406519
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19408812
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19406517
1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272973
4-[(2-chloro-5-methylphenoxy)methyl]-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328112
4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408613
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19407652
3-[(4-ethylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401679

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide (CID 19406490) is 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide is CCc1ccc(OCn2cc(NC(=O)c3ccc(COc4cc(C)ccc4Cl)cc3)cn2)cc1.
What is the InChIKey of 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide?
The InChIKey is AZDKLOIQSAVPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c1-3-20-7-11-24(12-8-20)34-18-31-16-23(15-29-31)30-27(32)22-9-5-21(6-10-22)17-33-26-14-19(2)4-13-25(26)28/h4-16H,3,17-18H2,1-2H3,(H,30,32).
What are the key properties of 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide?
4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide has a molecular weight of 475.98 g/mol, XLogP of 6.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19406490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).