2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide

C8H12FN3O — CID 130165014

IUPAC2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)C(C)(C)F)n1
InChIInChI=1S/C8H12FN3O/c1-8(2,9)7(13)10-6-4-5-12(3)11-6/h4-5H,1-3H3,(H,10,11,13)
InChIKeyOBLWYTNXFLDVLN-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.11
Rot. Bonds2

About 2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide

2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 130165014) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID130165014
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)C(C)(C)F)n1
InChIInChI=1S/C8H12FN3O/c1-8(2,9)7(13)10-6-4-5-12(3)11-6/h4-5H,1-3H3,(H,10,11,13)
InChIKeyOBLWYTNXFLDVLN-UHFFFAOYSA-N
XLogP1.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide (CID 130165014) is 2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide is Cn1ccc(NC(=O)C(C)(C)F)n1.
What is the InChIKey of 2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is OBLWYTNXFLDVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-8(2,9)7(13)10-6-4-5-12(3)11-6/h4-5H,1-3H3,(H,10,11,13).
What are the key properties of 2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide?
2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 185.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 130165014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).