1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide

C17H11Cl2F2N3O2 — CID 35529448

IUPAC1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccn(COc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H11Cl2F2N3O2/c18-11-2-1-3-12(19)16(11)26-9-24-7-6-15(23-24)17(25)22-14-5-4-10(20)8-13(14)21/h1-8H,9H2,(H,22,25)
InChIKeyKDCKQXILEUWLNI-UHFFFAOYSA-N
MW398.20 g/mol
LogP4.76
Rot. Bonds5

About 1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide

1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide (PubChem CID 35529448) has the molecular formula C17H11Cl2F2N3O2 and a molecular weight of 398.20 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide
PubChem CID35529448
Molecular FormulaC17H11Cl2F2N3O2
Molecular Weight398.20 g/mol
Exact Mass397.02
IUPAC Name1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccn(COc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H11Cl2F2N3O2/c18-11-2-1-3-12(19)16(11)26-9-24-7-6-15(23-24)17(25)22-14-5-4-10(20)8-13(14)21/h1-8H,9H2,(H,22,25)
InChIKeyKDCKQXILEUWLNI-UHFFFAOYSA-N
XLogP4.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-dichlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 17021920
N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581536
1-[(2,6-dichlorophenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 19269839
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270047
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958
1-[(2,6-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269950
1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19270109
1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19269884
N-(2,6-dichlorophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269237
N-(5-bromoquinolin-8-yl)-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269826
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280029
1-[(2,6-dichlorophenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19269906

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide (CID 35529448) is 1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccn(COc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide?
The InChIKey is KDCKQXILEUWLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F2N3O2/c18-11-2-1-3-12(19)16(11)26-9-24-7-6-15(23-24)17(25)22-14-5-4-10(20)8-13(14)21/h1-8H,9H2,(H,22,25).
What are the key properties of 1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide?
1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide has a molecular weight of 398.20 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 35529448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).