2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide

C8H10FN3O — CID 130657564

IUPAC2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide
SMILESCC(C)=C(F)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H10FN3O/c1-5(2)7(9)8(13)12-6-3-10-11-4-6/h3-4H,1-2H3,(H,10,11)(H,12,13)
InChIKeyCEXACCPIRVYRFM-UHFFFAOYSA-N
MW183.19 g/mol
LogP1.61
Rot. Bonds2

About 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide

2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide (PubChem CID 130657564) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide
PubChem CID130657564
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide
SMILESCC(C)=C(F)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H10FN3O/c1-5(2)7(9)8(13)12-6-3-10-11-4-6/h3-4H,1-2H3,(H,10,11)(H,12,13)
InChIKeyCEXACCPIRVYRFM-UHFFFAOYSA-N
XLogP1.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide?
The IUPAC name of 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide (CID 130657564) is 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide is CC(C)=C(F)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide?
The InChIKey is CEXACCPIRVYRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-5(2)7(9)8(13)12-6-3-10-11-4-6/h3-4H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide?
2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide has a molecular weight of 183.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)but-2-enamide is sourced from PubChem (CID 130657564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).