2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide

C12H11BrF3N3O2 — CID 1100801

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CC(=O)NCc1ccco1
InChIInChI=1S/C12H11BrF3N3O2/c1-7-10(13)11(12(14,15)16)18-19(7)6-9(20)17-5-8-3-2-4-21-8/h2-4H,5-6H2,1H3,(H,17,20)
InChIKeyFWWSTDYYXVJMJV-UHFFFAOYSA-N
MW366.14 g/mol
LogP2.88
Rot. Bonds4

About 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1100801) has the molecular formula C12H11BrF3N3O2 and a molecular weight of 366.14 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID1100801
Molecular FormulaC12H11BrF3N3O2
Molecular Weight366.14 g/mol
Exact Mass365.00
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CC(=O)NCc1ccco1
InChIInChI=1S/C12H11BrF3N3O2/c1-7-10(13)11(12(14,15)16)18-19(7)6-9(20)17-5-8-3-2-4-21-8/h2-4H,5-6H2,1H3,(H,17,20)
InChIKeyFWWSTDYYXVJMJV-UHFFFAOYSA-N
XLogP2.88
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.14
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
(4-Bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone
CID 672849
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 749070
N-(2-furylmethyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-furamide
CID 1091759
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide
CID 3239894
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
2-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-(2-furylmethyl)hydrazinecarbothioamide
CID 1298560
2-(3,5-dimethyl-4-nitropyrazolyl)-N-(2-furylmethyl)acetamide
CID 824605
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-furylmethyl)acetamide
CID 2871628
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-furylmethyl)propanamide
CID 2983815
5-bromo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)furan-2-carboxamide
CID 4770337

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 1100801) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide is Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NCc1ccco1.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FWWSTDYYXVJMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3N3O2/c1-7-10(13)11(12(14,15)16)18-19(7)6-9(20)17-5-8-3-2-4-21-8/h2-4H,5-6H2,1H3,(H,17,20).
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 366.14 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1100801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).