2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide

C12H12BrF2N3O2 — CID 19520030

IUPAC2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1c(Br)c(C(F)F)nn1CC(=O)NCc1ccco1
InChIInChI=1S/C12H12BrF2N3O2/c1-7-10(13)11(12(14)15)17-18(7)6-9(19)16-5-8-3-2-4-20-8/h2-4,12H,5-6H2,1H3,(H,16,19)
InChIKeyRNHOBOXTPLJKCH-UHFFFAOYSA-N
MW348.15 g/mol
LogP2.80
Rot. Bonds5

About 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 19520030) has the molecular formula C12H12BrF2N3O2 and a molecular weight of 348.15 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID19520030
Molecular FormulaC12H12BrF2N3O2
Molecular Weight348.15 g/mol
Exact Mass347.01
IUPAC Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1c(Br)c(C(F)F)nn1CC(=O)NCc1ccco1
InChIInChI=1S/C12H12BrF2N3O2/c1-7-10(13)11(12(14)15)17-18(7)6-9(19)16-5-8-3-2-4-20-8/h2-4,12H,5-6H2,1H3,(H,16,19)
InChIKeyRNHOBOXTPLJKCH-UHFFFAOYSA-N
XLogP2.80
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 19520335
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]acetamide
CID 19520165
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19520081
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 19532503
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
2-[4-(1,1-dihydroxypropyl)-3-methyl-5-methylsulfanylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 72709740
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide
CID 19520117
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53073711
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520105
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 61140986

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 19520030) is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide is Cc1c(Br)c(C(F)F)nn1CC(=O)NCc1ccco1.
What is the InChIKey of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RNHOBOXTPLJKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2N3O2/c1-7-10(13)11(12(14)15)17-18(7)6-9(19)16-5-8-3-2-4-20-8/h2-4,12H,5-6H2,1H3,(H,16,19).
What are the key properties of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 348.15 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 19520030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).