N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide

C18H13Cl2F2N3O2 — CID 24525267

IUPACN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H13Cl2F2N3O2/c19-14-2-1-3-15(20)13(14)10-25-16(8-9-23-25)24-17(26)11-4-6-12(7-5-11)27-18(21)22/h1-9,18H,10H2,(H,24,26)
InChIKeyUGCGSZOAFBCRIY-UHFFFAOYSA-N
MW412.22 g/mol
LogP5.09
Rot. Bonds6

About N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide (PubChem CID 24525267) has the molecular formula C18H13Cl2F2N3O2 and a molecular weight of 412.22 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
PubChem CID24525267
Molecular FormulaC18H13Cl2F2N3O2
Molecular Weight412.22 g/mol
Exact Mass411.04
IUPAC NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H13Cl2F2N3O2/c19-14-2-1-3-15(20)13(14)10-25-16(8-9-23-25)24-17(26)11-4-6-12(7-5-11)27-18(21)22/h1-9,18H,10H2,(H,24,26)
InChIKeyUGCGSZOAFBCRIY-UHFFFAOYSA-N
XLogP5.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.22
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide
CID 46451511
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19335188
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
CID 24525231
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide
CID 46458023
(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 31976291
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide
CID 35579716
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide
CID 55452348

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide (CID 24525267) is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide is O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide?
The InChIKey is UGCGSZOAFBCRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F2N3O2/c19-14-2-1-3-15(20)13(14)10-25-16(8-9-23-25)24-17(26)11-4-6-12(7-5-11)27-18(21)22/h1-9,18H,10H2,(H,24,26).
What are the key properties of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide?
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide has a molecular weight of 412.22 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 24525267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).