2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

C8H9F4N3O — CID 103733265

IUPAC2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H9F4N3O/c1-4-5(3-14-15-4)2-13-7(16)8(11,12)6(9)10/h3,6H,2H2,1H3,(H,13,16)(H,14,15)
InChIKeyKAYRDLSVNGJKGS-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.23
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 103733265) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID103733265
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC Name2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H9F4N3O/c1-4-5(3-14-15-4)2-13-7(16)8(11,12)6(9)10/h3,6H,2H2,1H3,(H,13,16)(H,14,15)
InChIKeyKAYRDLSVNGJKGS-UHFFFAOYSA-N
XLogP1.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
2-Methyl-N-((3-methyl-1h-pyrazol-4-yl)methyl)pentanamide
CID 60767988
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]azepan-2-one
CID 86808383
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 86808840
N-Methyl-N-[(3-methyl-1H-pyrazol-4-YL)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91771454
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
(3,3-difluoropyrrolidin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132291935
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
CID 138034045

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (CID 103733265) is 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is Cc1[nH]ncc1CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is KAYRDLSVNGJKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c1-4-5(3-14-15-4)2-13-7(16)8(11,12)6(9)10/h3,6H,2H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 239.17 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 103733265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).