2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide

C17H10Cl5N3O — CID 19409055

IUPAC2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl5N3O/c18-9-4-5-10(14(21)6-9)17(26)23-16-15(22)8-25(24-16)7-11-12(19)2-1-3-13(11)20/h1-6,8H,7H2,(H,23,24,26)
InChIKeyDRSRVLCGUYMBMN-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.45
Rot. Bonds4

About 2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide

2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19409055) has the molecular formula C17H10Cl5N3O and a molecular weight of 449.55 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19409055
Molecular FormulaC17H10Cl5N3O
Molecular Weight449.55 g/mol
Exact Mass446.93
IUPAC Name2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl5N3O/c18-9-4-5-10(14(21)6-9)17(26)23-16-15(22)8-25(24-16)7-11-12(19)2-1-3-13(11)20/h1-6,8H,7H2,(H,23,24,26)
InChIKeyDRSRVLCGUYMBMN-UHFFFAOYSA-N
XLogP6.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407398
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19405253
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
1-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-chlorophenyl)urea
CID 19405820
2-[4-[[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500724
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19405320
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513117
4-[[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496264
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262558
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide
CID 19394434
2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407351
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19396909

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19409055) is 2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is DRSRVLCGUYMBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl5N3O/c18-9-4-5-10(14(21)6-9)17(26)23-16-15(22)8-25(24-16)7-11-12(19)2-1-3-13(11)20/h1-6,8H,7H2,(H,23,24,26).
What are the key properties of 2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide?
2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 449.55 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19409055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).