N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide

C9H14FN3O — CID 130562163

IUPACN-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide
SMILESCCn1ccc(NC(=O)C(C)(C)F)n1
InChIInChI=1S/C9H14FN3O/c1-4-13-6-5-7(12-13)11-8(14)9(2,3)10/h5-6H,4H2,1-3H3,(H,11,12,14)
InChIKeyPMGUZJKASYCTST-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.59
Rot. Bonds3

About N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide

N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide (PubChem CID 130562163) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide
PubChem CID130562163
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC NameN-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide
SMILESCCn1ccc(NC(=O)C(C)(C)F)n1
InChIInChI=1S/C9H14FN3O/c1-4-13-6-5-7(12-13)11-8(14)9(2,3)10/h5-6H,4H2,1-3H3,(H,11,12,14)
InChIKeyPMGUZJKASYCTST-UHFFFAOYSA-N
XLogP1.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide (CID 130562163) is N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide is CCn1ccc(NC(=O)C(C)(C)F)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide?
The InChIKey is PMGUZJKASYCTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-4-13-6-5-7(12-13)11-8(14)9(2,3)10/h5-6H,4H2,1-3H3,(H,11,12,14).
What are the key properties of N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide?
N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide has a molecular weight of 199.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 130562163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).