2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C7H10FN3O — CID 67477589

IUPAC2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCn1cc(CNC(=O)CF)cn1
InChIInChI=1S/C7H10FN3O/c1-11-5-6(4-10-11)3-9-7(12)2-8/h4-5H,2-3H2,1H3,(H,9,12)
InChIKeyMAIQOFBZAYHPJF-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.01
Rot. Bonds3

About 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 67477589) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID67477589
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCn1cc(CNC(=O)CF)cn1
InChIInChI=1S/C7H10FN3O/c1-11-5-6(4-10-11)3-9-7(12)2-8/h4-5H,2-3H2,1H3,(H,9,12)
InChIKeyMAIQOFBZAYHPJF-UHFFFAOYSA-N
XLogP0.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
((1-ethyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 672401
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)methanamine
CID 565445
ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
CID 16394860
3-(4-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4715092
(1-(2-fluoroethyl)-1H-pyrazol-4-yl)methanamine
CID 80695799
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
1-(4-Methyl-1H-pyrazol-1-yl)ethanone
CID 57753203
ethyl((1-methyl-1H-pyrazol-4-yl)methyl)amine hydrochloride
CID 45792112
ethyl[(1-methyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride
CID 45792141

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 67477589) is 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide is Cn1cc(CNC(=O)CF)cn1.
What is the InChIKey of 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is MAIQOFBZAYHPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-11-5-6(4-10-11)3-9-7(12)2-8/h4-5H,2-3H2,1H3,(H,9,12).
What are the key properties of 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 171.17 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 67477589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).