N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide

C17H10BrCl4N3O — CID 19394434

IUPACN-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Br)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H10BrCl4N3O/c18-12-8-25(7-9-4-5-10(19)6-14(9)21)24-16(12)23-17(26)11-2-1-3-13(20)15(11)22/h1-6,8H,7H2,(H,23,24,26)
InChIKeyPKTXGFPDQGOREB-UHFFFAOYSA-N
MW494.00 g/mol
LogP6.56
Rot. Bonds4

About N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide

N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide (PubChem CID 19394434) has the molecular formula C17H10BrCl4N3O and a molecular weight of 494.00 g/mol. Its IUPAC name is N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide
PubChem CID19394434
Molecular FormulaC17H10BrCl4N3O
Molecular Weight494.00 g/mol
Exact Mass490.88
IUPAC NameN-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Br)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H10BrCl4N3O/c18-12-8-25(7-9-4-5-10(19)6-14(9)21)24-16(12)23-17(26)11-2-1-3-13(20)15(11)22/h1-6,8H,7H2,(H,23,24,26)
InChIKeyPKTXGFPDQGOREB-UHFFFAOYSA-N
XLogP6.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.00
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19287025
2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19347045
4,5-dibromo-N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 19508541
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19392822
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19268582
2-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19284205
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266527
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19454854
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533739
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide
CID 19272400
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 19392758

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide?
The IUPAC name of N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide (CID 19394434) is N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide?
The canonical SMILES for N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide is O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Br)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide?
The InChIKey is PKTXGFPDQGOREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrCl4N3O/c18-12-8-25(7-9-4-5-10(19)6-14(9)21)24-16(12)23-17(26)11-2-1-3-13(20)15(11)22/h1-6,8H,7H2,(H,23,24,26).
What are the key properties of N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide?
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide has a molecular weight of 494.00 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide is sourced from PubChem (CID 19394434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).