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

C17H11Cl2F2N3O2 — CID 4865301

IUPAC1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)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)22-10-4-5-13(20)14(21)8-10/h1-8H,9H2,(H,22,25)
InChIKeyGGTVATAEOLBMDX-UHFFFAOYSA-N
MW398.20 g/mol
LogP4.76
Rot. Bonds5

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

1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide (PubChem CID 4865301) has the molecular formula C17H11Cl2F2N3O2 and a molecular weight of 398.20 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide
PubChem CID4865301
Molecular FormulaC17H11Cl2F2N3O2
Molecular Weight398.20 g/mol
Exact Mass397.02
IUPAC Name1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)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)22-10-4-5-13(20)14(21)8-10/h1-8H,9H2,(H,22,25)
InChIKeyGGTVATAEOLBMDX-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

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 47084046
1-[(2-Chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4773972
3-(2-Chlorophenylcarbamoyl)-1H-pyrazole-1-carboxylic acid 4-chlorophenyl ester
CID 69633023
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
CID 4775217
N-tert-butyl-1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4865147
N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4867070
N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19265186
1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 19269922
1-[(2-chlorophenoxy)methyl]-N,N-dimethylpyrazole-3-carboxamide
CID 35528857
N-tert-butyl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 35529635
1-[(2,6-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide
CID 39854432
1-[(2,3-dichlorophenoxy)methyl]-N,N-diethylpyrazole-3-carboxamide
CID 39854581

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide (CID 4865301) is 1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccn(COc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide?
The InChIKey is GGTVATAEOLBMDX-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)22-10-4-5-13(20)14(21)8-10/h1-8H,9H2,(H,22,25).
What are the key properties of 1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide?
1-[(2,6-dichlorophenoxy)methyl]-N-(3,4-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-(3,4-difluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4865301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).