2-(5-fluoro-1-methylpyrazol-4-yl)acetamide

C6H8FN3O — CID 155347394

IUPAC2-(5-fluoro-1-methylpyrazol-4-yl)acetamide
SMILESCn1ncc(CC(N)=O)c1F
InChIInChI=1S/C6H8FN3O/c1-10-6(7)4(3-9-10)2-5(8)11/h3H,2H2,1H3,(H2,8,11)
InChIKeyUMRRKAUUOPAYNC-UHFFFAOYSA-N
MW157.15 g/mol
LogP-0.41
Rot. Bonds2

About 2-(5-fluoro-1-methylpyrazol-4-yl)acetamide

2-(5-fluoro-1-methylpyrazol-4-yl)acetamide (PubChem CID 155347394) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-1-methylpyrazol-4-yl)acetamide
PubChem CID155347394
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name2-(5-fluoro-1-methylpyrazol-4-yl)acetamide
SMILESCn1ncc(CC(N)=O)c1F
InChIInChI=1S/C6H8FN3O/c1-10-6(7)4(3-9-10)2-5(8)11/h3H,2H2,1H3,(H2,8,11)
InChIKeyUMRRKAUUOPAYNC-UHFFFAOYSA-N
XLogP-0.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(Fluoromethyl)pyrazol-4-yl]acetamide
CID 145451619
2-(3-Fluoro-1-methylpyrazol-4-yl)acetamide
CID 155347375
1-(5-Fluoro-1-methylpyrazol-4-yl)propan-2-one
CID 155347559
Ethane;4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide
CID 166474068
2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide
CID 167421298
2-[1-(Difluoromethyl)pyrazol-4-yl]acetamide
CID 172536279
2,2-Difluoro-2-(1-methylpyrazol-4-yl)acetaldehyde
CID 176371327
2-[1-(Difluoromethyl)pyrazol-4-yl]propanamide
CID 178516200
2-Amino-2-(1-methylpyrazol-4-yl)acetamide
CID 60795441
2-(1-Methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 60998173
4,4,4-trifluoro-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]butanamide
CID 77085439
2,2,2-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 78990898

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(5-fluoro-1-methylpyrazol-4-yl)acetamide (CID 155347394) is 2-(5-fluoro-1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(5-fluoro-1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(5-fluoro-1-methylpyrazol-4-yl)acetamide is Cn1ncc(CC(N)=O)c1F.
What is the InChIKey of 2-(5-fluoro-1-methylpyrazol-4-yl)acetamide?
The InChIKey is UMRRKAUUOPAYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c1-10-6(7)4(3-9-10)2-5(8)11/h3H,2H2,1H3,(H2,8,11).
What are the key properties of 2-(5-fluoro-1-methylpyrazol-4-yl)acetamide?
2-(5-fluoro-1-methylpyrazol-4-yl)acetamide has a molecular weight of 157.15 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 155347394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).