N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide

C17H13F2N3O2 — CID 19581536

IUPACN-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccn(COc2ccccc2)n1
InChIInChI=1S/C17H13F2N3O2/c18-12-6-7-15(14(19)10-12)20-17(23)16-8-9-22(21-16)11-24-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,23)
InChIKeyAJKNOCFUKGIJDA-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.45
Rot. Bonds5

About N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide

N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide (PubChem CID 19581536) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
PubChem CID19581536
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccn(COc2ccccc2)n1
InChIInChI=1S/C17H13F2N3O2/c18-12-6-7-15(14(19)10-12)20-17(23)16-8-9-22(21-16)11-24-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,23)
InChIKeyAJKNOCFUKGIJDA-UHFFFAOYSA-N
XLogP3.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide
CID 35529448
N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271046
1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19581546
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
N-(4-bromo-2-fluorophenyl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273670
1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19279998
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051
N-(2,6-dichlorophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269237
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280016
1-[(2,6-dichlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 17021920
N-(4-ethylphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269256

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide (CID 19581536) is N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccn(COc2ccccc2)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The InChIKey is AJKNOCFUKGIJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-12-6-7-15(14(19)10-12)20-17(23)16-8-9-22(21-16)11-24-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,23).
What are the key properties of N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19581536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).