N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide

C24H20ClN3O2 — CID 19286274

IUPACN-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(COc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H20ClN3O2/c25-21-7-4-8-22(15-21)30-17-19-9-11-20(12-10-19)24(29)26-23-13-14-28(27-23)16-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,26,27,29)
InChIKeyHGGKHEFOQDRUCF-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.42
Rot. Bonds7

About N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide

N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide (PubChem CID 19286274) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
PubChem CID19286274
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC NameN-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(COc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H20ClN3O2/c25-21-7-4-8-22(15-21)30-17-19-9-11-20(12-10-19)24(29)26-23-13-14-28(27-23)16-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,26,27,29)
InChIKeyHGGKHEFOQDRUCF-UHFFFAOYSA-N
XLogP5.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285169
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867
4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403091
N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19400752
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
3-[(3-bromophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283705
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19403127
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(3-chlorophenoxy)methyl]benzamide
CID 19284353
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19402873
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403078
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505191

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide (CID 19286274) is N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide is O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(COc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide?
The InChIKey is HGGKHEFOQDRUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-21-7-4-8-22(15-21)30-17-19-9-11-20(12-10-19)24(29)26-23-13-14-28(27-23)16-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,26,27,29).
What are the key properties of N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide?
N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide has a molecular weight of 417.90 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide is sourced from PubChem (CID 19286274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).