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

C8H12FN3O — CID 176959961

IUPAC2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCC(F)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C8H12FN3O/c1-6(9)8(13)10-3-7-4-11-12(2)5-7/h4-6H,3H2,1-2H3,(H,10,13)
InChIKeyCZIDGVHJNHPOFB-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.39
Rot. Bonds3

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

2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 176959961) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID176959961
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCC(F)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C8H12FN3O/c1-6(9)8(13)10-3-7-4-11-12(2)5-7/h4-6H,3H2,1-2H3,(H,10,13)
InChIKeyCZIDGVHJNHPOFB-UHFFFAOYSA-N
XLogP0.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 176959961) is 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide is CC(F)C(=O)NCc1cnn(C)c1.
What is the InChIKey of 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is CZIDGVHJNHPOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-6(9)8(13)10-3-7-4-11-12(2)5-7/h4-6H,3H2,1-2H3,(H,10,13).
What are the key properties of 2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 185.20 g/mol, XLogP of 0.39, 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]propanamide is sourced from PubChem (CID 176959961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).