N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide

C10H10F7N3O — CID 4620639

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCn1cc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C10H10F7N3O/c1-2-20-5-6(4-19-20)3-18-7(21)8(11,12)9(13,14)10(15,16)17/h4-5H,2-3H2,1H3,(H,18,21)
InChIKeyANFZTFWLUKXJAS-UHFFFAOYSA-N
MW321.20 g/mol
LogP2.35
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 4620639) has the molecular formula C10H10F7N3O and a molecular weight of 321.20 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID4620639
Molecular FormulaC10H10F7N3O
Molecular Weight321.20 g/mol
Exact Mass321.07
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCn1cc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C10H10F7N3O/c1-2-20-5-6(4-19-20)3-18-7(21)8(11,12)9(13,14)10(15,16)17/h4-5H,2-3H2,1H3,(H,18,21)
InChIKeyANFZTFWLUKXJAS-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
methyl({[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl})amine
CID 62729927
3-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-propan-2-ylpropanamide
CID 53595702
3-[2-(4-Methylpyrazol-1-yl)ethylamino]butanamide
CID 71924626
3-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
CID 72142047
(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 95329675
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 4437626
2,2,3,3,3-Pentafluoro-1-(4-methyl-1H-pyrazol-1-yl)propan-1-one
CID 91704496
2,2,3,3,4,4,4-Heptafluoro-1-(4-methyl-1H-pyrazol-1-yl)butan-1-one
CID 91704498
2,2,2-Trifluoro-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 91727167

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 4620639) is N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide is CCn1cc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is ANFZTFWLUKXJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F7N3O/c1-2-20-5-6(4-19-20)3-18-7(21)8(11,12)9(13,14)10(15,16)17/h4-5H,2-3H2,1H3,(H,18,21).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 321.20 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 4620639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).