N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide

C22H19Cl2N5O — CID 19337316

IUPACN-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(Cn3cccn3)c2)nn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H19Cl2N5O/c1-15-10-21(27-29(15)14-18-6-7-19(23)12-20(18)24)26-22(30)17-5-2-4-16(11-17)13-28-9-3-8-25-28/h2-12H,13-14H2,1H3,(H,26,27,30)
InChIKeyVFKOFBXYDONCJW-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.04
Rot. Bonds6

About N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 19337316) has the molecular formula C22H19Cl2N5O and a molecular weight of 440.33 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID19337316
Molecular FormulaC22H19Cl2N5O
Molecular Weight440.33 g/mol
Exact Mass439.10
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(Cn3cccn3)c2)nn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H19Cl2N5O/c1-15-10-21(27-29(15)14-18-6-7-19(23)12-20(18)24)26-22(30)17-5-2-4-16(11-17)13-28-9-3-8-25-28/h2-12H,13-14H2,1H3,(H,26,27,30)
InChIKeyVFKOFBXYDONCJW-UHFFFAOYSA-N
XLogP5.04
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337383
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 19337140
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 19337185
4-[(3-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337296
2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337335
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337293
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide
CID 19411471
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19283987
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19345492
4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337198
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19411607
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-ethylbutanamide
CID 19337125

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide (CID 19337316) is N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide is Cc1cc(NC(=O)c2cccc(Cn3cccn3)c2)nn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is VFKOFBXYDONCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O/c1-15-10-21(27-29(15)14-18-6-7-19(23)12-20(18)24)26-22(30)17-5-2-4-16(11-17)13-28-9-3-8-25-28/h2-12H,13-14H2,1H3,(H,26,27,30).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide?
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 440.33 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 19337316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).