2-(3-fluoro-1-methylpyrazol-4-yl)acetamide

C6H8FN3O — CID 155347375

IUPAC2-(3-fluoro-1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(N)=O)c(F)n1
InChIInChI=1S/C6H8FN3O/c1-10-3-4(2-5(8)11)6(7)9-10/h3H,2H2,1H3,(H2,8,11)
InChIKeyHLRBXKYCKNRUDD-UHFFFAOYSA-N
MW157.15 g/mol
LogP-0.41
Rot. Bonds2

About 2-(3-fluoro-1-methylpyrazol-4-yl)acetamide

2-(3-fluoro-1-methylpyrazol-4-yl)acetamide (PubChem CID 155347375) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 2-(3-fluoro-1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-1-methylpyrazol-4-yl)acetamide
PubChem CID155347375
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name2-(3-fluoro-1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(N)=O)c(F)n1
InChIInChI=1S/C6H8FN3O/c1-10-3-4(2-5(8)11)6(7)9-10/h3H,2H2,1H3,(H2,8,11)
InChIKeyHLRBXKYCKNRUDD-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-methyl-1H-pyrazol-4-yl)propanal
CID 65916996
N-[(2S)-3-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 95627539
2-[1-(Fluoromethyl)pyrazol-4-yl]acetamide
CID 145451619
2-(5-Fluoro-1-methylpyrazol-4-yl)acetamide
CID 155347394
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
N-(3-methylbutan-2-yl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56790517
2-Amino-2-(1-methylpyrazol-4-yl)acetamide
CID 60795441

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-fluoro-1-methylpyrazol-4-yl)acetamide (CID 155347375) is 2-(3-fluoro-1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-fluoro-1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-fluoro-1-methylpyrazol-4-yl)acetamide is Cn1cc(CC(N)=O)c(F)n1.
What is the InChIKey of 2-(3-fluoro-1-methylpyrazol-4-yl)acetamide?
The InChIKey is HLRBXKYCKNRUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c1-10-3-4(2-5(8)11)6(7)9-10/h3H,2H2,1H3,(H2,8,11).
What are the key properties of 2-(3-fluoro-1-methylpyrazol-4-yl)acetamide?
2-(3-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-(3-fluoro-1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 155347375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).