3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide

C25H22ClN3O3 — CID 19410119

IUPAC3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3cccc(COc4ccccc4Cl)c3)cn2)c1
InChIInChI=1S/C25H22ClN3O3/c1-31-22-9-5-6-18(13-22)15-29-16-21(14-27-29)28-25(30)20-8-4-7-19(12-20)17-32-24-11-3-2-10-23(24)26/h2-14,16H,15,17H2,1H3,(H,28,30)
InChIKeyNYFFVTOWMPSSEI-UHFFFAOYSA-N
MW447.92 g/mol
LogP5.42
Rot. Bonds8

About 3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide

3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19410119) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19410119
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC Name3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3cccc(COc4ccccc4Cl)c3)cn2)c1
InChIInChI=1S/C25H22ClN3O3/c1-31-22-9-5-6-18(13-22)15-29-16-21(14-27-29)28-25(30)20-8-4-7-19(12-20)17-32-24-11-3-2-10-23(24)26/h2-14,16H,15,17H2,1H3,(H,28,30)
InChIKeyNYFFVTOWMPSSEI-UHFFFAOYSA-N
XLogP5.42
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340497
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19404861
methyl 2-[[4-[[3-[(2,3-dichlorophenoxy)methyl]benzoyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402386
3-[(2-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346822
3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346434
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
3-[(2-chlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340714
3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338287
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19407721
4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410222

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide (CID 19410119) is 3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide is COc1cccc(Cn2cc(NC(=O)c3cccc(COc4ccccc4Cl)c3)cn2)c1.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is NYFFVTOWMPSSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c1-31-22-9-5-6-18(13-22)15-29-16-21(14-27-29)28-25(30)20-8-4-7-19(12-20)17-32-24-11-3-2-10-23(24)26/h2-14,16H,15,17H2,1H3,(H,28,30).
What are the key properties of 3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 447.92 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19410119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).