N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide

C25H22ClN3O3 — CID 19403141

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccccc1OCc1cccc(C(=O)Nc2ccn(Cc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C25H22ClN3O3/c1-31-22-10-2-3-11-23(22)32-17-19-7-4-8-20(14-19)25(30)27-24-12-13-29(28-24)16-18-6-5-9-21(26)15-18/h2-15H,16-17H2,1H3,(H,27,28,30)
InChIKeyKTWFTOVPFQAFDV-UHFFFAOYSA-N
MW447.92 g/mol
LogP5.42
Rot. Bonds8

About N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide (PubChem CID 19403141) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
PubChem CID19403141
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccccc1OCc1cccc(C(=O)Nc2ccn(Cc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C25H22ClN3O3/c1-31-22-10-2-3-11-23(22)32-17-19-7-4-8-20(14-19)25(30)27-24-12-13-29(28-24)16-18-6-5-9-21(26)15-18/h2-15H,16-17H2,1H3,(H,27,28,30)
InChIKeyKTWFTOVPFQAFDV-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-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283688
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19403127
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19403120
4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403091
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284551
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19286281
N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19400684
3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400976
3-[(2,4-difluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284664

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide (CID 19403141) is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide is COc1ccccc1OCc1cccc(C(=O)Nc2ccn(Cc3cccc(Cl)c3)n2)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide?
The InChIKey is KTWFTOVPFQAFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c1-31-22-10-2-3-11-23(22)32-17-19-7-4-8-20(14-19)25(30)27-24-12-13-29(28-24)16-18-6-5-9-21(26)15-18/h2-15H,16-17H2,1H3,(H,27,28,30).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-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-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 19403141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).