1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide

C18H12Cl2F3N3O3 — CID 19270400

IUPAC1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1OC(F)F)c1ccn(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H12Cl2F3N3O3/c19-10-1-4-15(12(20)7-10)28-9-26-6-5-14(25-26)17(27)24-13-3-2-11(21)8-16(13)29-18(22)23/h1-8,18H,9H2,(H,24,27)
InChIKeyWZLFXJRLPSIXCM-UHFFFAOYSA-N
MW446.21 g/mol
LogP5.22
Rot. Bonds7

About 1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide

1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide (PubChem CID 19270400) has the molecular formula C18H12Cl2F3N3O3 and a molecular weight of 446.21 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
PubChem CID19270400
Molecular FormulaC18H12Cl2F3N3O3
Molecular Weight446.21 g/mol
Exact Mass445.02
IUPAC Name1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1OC(F)F)c1ccn(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H12Cl2F3N3O3/c19-10-1-4-15(12(20)7-10)28-9-26-6-5-14(25-26)17(27)24-13-3-2-11(21)8-16(13)29-18(22)23/h1-8,18H,9H2,(H,24,27)
InChIKeyWZLFXJRLPSIXCM-UHFFFAOYSA-N
XLogP5.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.21
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19275512
1-[(2-chloro-4-nitrophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide
CID 19276837
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280016
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19270375
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270302
1-[(2,6-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269950
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280074
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280073
1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19270321
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958
N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269235

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide (CID 19270400) is 1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide is O=C(Nc1ccc(F)cc1OC(F)F)c1ccn(COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide?
The InChIKey is WZLFXJRLPSIXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N3O3/c19-10-1-4-15(12(20)7-10)28-9-26-6-5-14(25-26)17(27)24-13-3-2-11(21)8-16(13)29-18(22)23/h1-8,18H,9H2,(H,24,27).
What are the key properties of 1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide?
1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide has a molecular weight of 446.21 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19270400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).