2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide

C7H8BrF2N3O — CID 165429514

IUPAC2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide
SMILESO=C(Cn1cc(Br)cn1)NCC(F)F
InChIInChI=1S/C7H8BrF2N3O/c8-5-1-12-13(3-5)4-7(14)11-2-6(9)10/h1,3,6H,2,4H2,(H,11,14)
InChIKeyKLLUJLBEJRYYLF-UHFFFAOYSA-N
MW268.06 g/mol
LogP1.03
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide

2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide (PubChem CID 165429514) has the molecular formula C7H8BrF2N3O and a molecular weight of 268.06 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide
PubChem CID165429514
Molecular FormulaC7H8BrF2N3O
Molecular Weight268.06 g/mol
Exact Mass266.98
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide
SMILESO=C(Cn1cc(Br)cn1)NCC(F)F
InChIInChI=1S/C7H8BrF2N3O/c8-5-1-12-13(3-5)4-7(14)11-2-6(9)10/h1,3,6H,2,4H2,(H,11,14)
InChIKeyKLLUJLBEJRYYLF-UHFFFAOYSA-N
XLogP1.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.06
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 50988940
2-(4-Bromo-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19537573
2-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 19537684
2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 19537733
2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
CID 19537734
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
3-(4-Bromo-1H-pyrazol-1-yl)propanamide
CID 45791238
2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19524595
2-(4-bromopyrazol-1-yl)-N-cyclopentylacetamide
CID 19524496
2-(1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 49670618
N-[2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]ethyl]-2,2-dimethylpropanamide
CID 86779530
(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 95329675

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide (CID 165429514) is 2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide is O=C(Cn1cc(Br)cn1)NCC(F)F.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide?
The InChIKey is KLLUJLBEJRYYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2N3O/c8-5-1-12-13(3-5)4-7(14)11-2-6(9)10/h1,3,6H,2,4H2,(H,11,14).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide?
2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide has a molecular weight of 268.06 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 165429514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).