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

C17H11Cl4N3O — CID 19407398

IUPAC2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl4N3O/c18-11-3-1-10(2-4-11)8-24-9-15(21)16(23-24)22-17(25)13-6-5-12(19)7-14(13)20/h1-7,9H,8H2,(H,22,23,25)
InChIKeyMIRVVVPNLCQMEN-UHFFFAOYSA-N
MW415.11 g/mol
LogP5.80
Rot. Bonds4

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

2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19407398) has the molecular formula C17H11Cl4N3O and a molecular weight of 415.11 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19407398
Molecular FormulaC17H11Cl4N3O
Molecular Weight415.11 g/mol
Exact Mass412.97
IUPAC Name2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl4N3O/c18-11-3-1-10(2-4-11)8-24-9-15(21)16(23-24)22-17(25)13-6-5-12(19)7-14(13)20/h1-7,9H,8H2,(H,22,23,25)
InChIKeyMIRVVVPNLCQMEN-UHFFFAOYSA-N
XLogP5.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.11
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19409055
2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407351
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 19509493
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19407354
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,5-dimethylbenzamide
CID 19409217
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474899
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide
CID 19400769
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
CID 19407215
2-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19284205
N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
CID 19400825
1-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dichlorophenyl)thiourea
CID 19401475

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19407398) is 2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is MIRVVVPNLCQMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl4N3O/c18-11-3-1-10(2-4-11)8-24-9-15(21)16(23-24)22-17(25)13-6-5-12(19)7-14(13)20/h1-7,9H,8H2,(H,22,23,25).
What are the key properties of 2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 415.11 g/mol, XLogP of 5.80, 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-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19407398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).