2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide

C8H12FN3O — CID 130165050

IUPAC2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCC(C)(F)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C8H12FN3O/c1-8(2,9)7(13)10-3-6-4-11-12-5-6/h4-5H,3H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyGDGKHOATPCJPGS-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.77
Rot. Bonds3

About 2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide

2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 130165050) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID130165050
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCC(C)(F)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C8H12FN3O/c1-8(2,9)7(13)10-3-6-4-11-12-5-6/h4-5H,3H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyGDGKHOATPCJPGS-UHFFFAOYSA-N
XLogP0.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 130165050) is 2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide is CC(C)(F)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is GDGKHOATPCJPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-8(2,9)7(13)10-3-6-4-11-12-5-6/h4-5H,3H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 185.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 130165050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).