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

C17H12Cl3N3O — CID 19395454

IUPAC2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1ccccc1Cl
InChIInChI=1S/C17H12Cl3N3O/c18-14-5-2-1-4-12(14)17(24)22-11-8-21-23(9-11)10-13-15(19)6-3-7-16(13)20/h1-9H,10H2,(H,22,24)
InChIKeyWXYXHKWARKRGFH-UHFFFAOYSA-N
MW380.66 g/mol
LogP5.14
Rot. Bonds4

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

2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19395454) has the molecular formula C17H12Cl3N3O and a molecular weight of 380.66 g/mol. Its IUPAC name is 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19395454
Molecular FormulaC17H12Cl3N3O
Molecular Weight380.66 g/mol
Exact Mass379.00
IUPAC Name2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1ccccc1Cl
InChIInChI=1S/C17H12Cl3N3O/c18-14-5-2-1-4-12(14)17(24)22-11-8-21-23(9-11)10-13-15(19)6-3-7-16(13)20/h1-9H,10H2,(H,22,24)
InChIKeyWXYXHKWARKRGFH-UHFFFAOYSA-N
XLogP5.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19395492
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402203
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19395451
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19395542
3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19395555
1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide
CID 134697674
4-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498650
2,3-dichloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336536

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide (CID 19395454) is 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is WXYXHKWARKRGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O/c18-14-5-2-1-4-12(14)17(24)22-11-8-21-23(9-11)10-13-15(19)6-3-7-16(13)20/h1-9H,10H2,(H,22,24).
What are the key properties of 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide?
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 380.66 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19395454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).