N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide

C11H9F2N3O — CID 39724155

IUPACN-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2N3O/c12-9-3-2-8(6-10(9)13)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17)
InChIKeyHJVNOSGQNVBZAJ-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.80
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide

N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide (PubChem CID 39724155) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
PubChem CID39724155
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC NameN-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2N3O/c12-9-3-2-8(6-10(9)13)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17)
InChIKeyHJVNOSGQNVBZAJ-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110688754
N-(3,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688906
1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290797
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 63282524
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide
CID 103789408
N-(3-phenoxyphenyl)-2-pyrazol-1-ylacetamide
CID 51272460
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide
CID 16790819
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
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N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide
CID 33366231

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide (CID 39724155) is N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide?
The InChIKey is HJVNOSGQNVBZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c12-9-3-2-8(6-10(9)13)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17).
What are the key properties of N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide?
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide has a molecular weight of 237.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 39724155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).