4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide

C17H12Cl3N3O — CID 1272229

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C17H12Cl3N3O/c18-13-8-21-23(10-13)9-11-1-3-12(4-2-11)17(24)22-14-5-6-15(19)16(20)7-14/h1-8,10H,9H2,(H,22,24)
InChIKeyKRWQYZGBACGEQI-UHFFFAOYSA-N
MW380.66 g/mol
LogP5.14
Rot. Bonds4

About 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide

4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide (PubChem CID 1272229) has the molecular formula C17H12Cl3N3O and a molecular weight of 380.66 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide
PubChem CID1272229
Molecular FormulaC17H12Cl3N3O
Molecular Weight380.66 g/mol
Exact Mass379.00
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C17H12Cl3N3O/c18-13-8-21-23(10-13)9-11-1-3-12(4-2-11)17(24)22-14-5-6-15(19)16(20)7-14/h1-8,10H,9H2,(H,22,24)
InChIKeyKRWQYZGBACGEQI-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-(3,4-dichlorophenyl)-1-methyl-1H-indazole-5-carboxamide
CID 77844667
N-(3,4-dichlorophenyl)-2-methylindazole-5-carboxamide
CID 77844716
N-(3,4-dichlorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1225407
N-(3-chlorophenyl)-4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzamide
CID 708266
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide
CID 892256
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N'-[4-(dimethylamino)benzylidene]benzohydrazide
CID 5430514
N-(3,4-dichlorophenyl)-1-(2-(pyridin-4-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 44431912
N-(3,4-dichlorophenyl)-1H-indazole-6-carboxamide
CID 60715151
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide
CID 891700
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 708264
N-(4-acetamidophenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
CID 993878
N-(5-chloro-2-methylphenyl)-4-[(4-chloro-1-pyrazolyl)methyl]benzamide
CID 1272230

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide (CID 1272229) is 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2cc(Cl)cn2)cc1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide?
The InChIKey is KRWQYZGBACGEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O/c18-13-8-21-23(10-13)9-11-1-3-12(4-2-11)17(24)22-14-5-6-15(19)16(20)7-14/h1-8,10H,9H2,(H,22,24).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide?
4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)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 4-[(4-chloropyrazol-1-yl)methyl]-N-(3,4-dichlorophenyl)benzamide is sourced from PubChem (CID 1272229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).