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

C12H12F3N3O2 — CID 742286

IUPACN-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCc1ccco1
InChIInChI=1S/C12H12F3N3O2/c1-8-5-10(12(13,14)15)17-18(8)7-11(19)16-6-9-3-2-4-20-9/h2-5H,6-7H2,1H3,(H,16,19)
InChIKeyGMCVYRQDJDRNOY-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.12
Rot. Bonds4

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

N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 742286) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID742286
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC NameN-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCc1ccco1
InChIInChI=1S/C12H12F3N3O2/c1-8-5-10(12(13,14)15)17-18(8)7-11(19)16-6-9-3-2-4-20-9/h2-5H,6-7H2,1H3,(H,16,19)
InChIKeyGMCVYRQDJDRNOY-UHFFFAOYSA-N
XLogP2.12
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.12
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
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
CID 25163116
1,5-Dimethyl-1H-pyrazole-3-carboxylic acid 2-(((2-furanylmethyl)amino)thioxomethyl)hydrazide
CID 842829
N-(2-furylmethyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-furamide
CID 1091759
N-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 660953
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 1100801
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(furan-2-YL)methyl]propanamide
CID 16022770
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-{1-[(5-methyl-2-furyl)methyl]-3-oxo-2-piperazinyl}acetamide
CID 16191525

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 742286) is N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is GMCVYRQDJDRNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-8-5-10(12(13,14)15)17-18(8)7-11(19)16-6-9-3-2-4-20-9/h2-5H,6-7H2,1H3,(H,16,19).
What are the key properties of N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 287.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 742286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).