N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide

C20H13Cl3N4O2 — CID 19398786

IUPACN-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H13Cl3N4O2/c21-14-7-6-12(8-15(14)22)10-27-11-16(23)19(25-27)24-20(28)17-9-18(29-26-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,24,25,28)
InChIKeyZPXZMFORXXIBRT-UHFFFAOYSA-N
MW447.71 g/mol
LogP5.80
Rot. Bonds5

About N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 19398786) has the molecular formula C20H13Cl3N4O2 and a molecular weight of 447.71 g/mol. Its IUPAC name is N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID19398786
Molecular FormulaC20H13Cl3N4O2
Molecular Weight447.71 g/mol
Exact Mass446.01
IUPAC NameN-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H13Cl3N4O2/c21-14-7-6-12(8-15(14)22)10-27-11-16(23)19(25-27)24-20(28)17-9-18(29-26-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,24,25,28)
InChIKeyZPXZMFORXXIBRT-UHFFFAOYSA-N
XLogP5.80
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.71
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281350
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473442
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19262280
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474899
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19407354
4-bromo-N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398624
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513655
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508240
N-(1-benzyl-4-chloropyrazol-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267707
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19398768
N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
CID 19400825
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512471

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 19398786) is N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZPXZMFORXXIBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N4O2/c21-14-7-6-12(8-15(14)22)10-27-11-16(23)19(25-27)24-20(28)17-9-18(29-26-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,24,25,28).
What are the key properties of N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 447.71 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19398786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).