N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide

C25H22ClN3O3 — CID 19400684

IUPACN-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccccc1OCc1cccc(C(=O)Nc2nn(Cc3ccccc3)cc2Cl)c1
InChIInChI=1S/C25H22ClN3O3/c1-31-22-12-5-6-13-23(22)32-17-19-10-7-11-20(14-19)25(30)27-24-21(26)16-29(28-24)15-18-8-3-2-4-9-18/h2-14,16H,15,17H2,1H3,(H,27,28,30)
InChIKeyZHYNOXBJPJISLB-UHFFFAOYSA-N
MW447.92 g/mol
LogP5.42
Rot. Bonds8

About N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide

N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide (PubChem CID 19400684) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide
PubChem CID19400684
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC NameN-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccccc1OCc1cccc(C(=O)Nc2nn(Cc3ccccc3)cc2Cl)c1
InChIInChI=1S/C25H22ClN3O3/c1-31-22-12-5-6-13-23(22)32-17-19-10-7-11-20(14-19)25(30)27-24-21(26)16-29(28-24)15-18-8-3-2-4-9-18/h2-14,16H,15,17H2,1H3,(H,27,28,30)
InChIKeyZHYNOXBJPJISLB-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

N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
CID 19409427
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxybenzamide
CID 19409221
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19409118
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(2-bromophenoxy)methyl]benzamide
CID 19345085
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19401112
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19402779
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19403141
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethoxyphenoxy)methyl]benzamide
CID 19401125
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(4-methyl-2-nitrophenoxy)methyl]benzamide
CID 19398758
3-[(4-bromophenoxy)methyl]-N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398662
N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19400752
N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19400714

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide?
The IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide (CID 19400684) is N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide is COc1ccccc1OCc1cccc(C(=O)Nc2nn(Cc3ccccc3)cc2Cl)c1.
What is the InChIKey of N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide?
The InChIKey is ZHYNOXBJPJISLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c1-31-22-12-5-6-13-23(22)32-17-19-10-7-11-20(14-19)25(30)27-24-21(26)16-29(28-24)15-18-8-3-2-4-9-18/h2-14,16H,15,17H2,1H3,(H,27,28,30).
What are the key properties of N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide?
N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]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 N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 19400684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).