N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide

C15H17F2N3O2 — CID 39891451

IUPACN-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccn(COc2ccc(F)cc2F)n1
InChIInChI=1S/C15H17F2N3O2/c1-3-10(2)18-15(21)13-6-7-20(19-13)9-22-14-5-4-11(16)8-12(14)17/h4-8,10H,3,9H2,1-2H3,(H,18,21)/t10-/m0/s1
InChIKeyZVTBJQLKHHBKLY-JTQLQIEISA-N
MW309.32 g/mol
LogP2.73
Rot. Bonds6

About N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide

N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 39891451) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID39891451
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccn(COc2ccc(F)cc2F)n1
InChIInChI=1S/C15H17F2N3O2/c1-3-10(2)18-15(21)13-6-7-20(19-13)9-22-14-5-4-11(16)8-12(14)17/h4-8,10H,3,9H2,1-2H3,(H,18,21)/t10-/m0/s1
InChIKeyZVTBJQLKHHBKLY-JTQLQIEISA-N
XLogP2.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 19280086
1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618706
1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19279969
1-[(2,4-difluorophenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]pyrazole-3-carboxamide
CID 110279504
N-[2-(diethylamino)ethyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280115
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280074
1-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19279923
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280097
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19279852
1-[(5-fluoro-2-nitrophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 19280550
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280016
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280073

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide (CID 39891451) is N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide is CC[C@H](C)NC(=O)c1ccn(COc2ccc(F)cc2F)n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is ZVTBJQLKHHBKLY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-3-10(2)18-15(21)13-6-7-20(19-13)9-22-14-5-4-11(16)8-12(14)17/h4-8,10H,3,9H2,1-2H3,(H,18,21)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide?
N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 39891451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).