methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate

C12H11F3N2O3 — CID 889878

IUPACmethyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2nc(C(F)(F)F)cc2C)o1
InChIInChI=1S/C12H11F3N2O3/c1-7-5-10(12(13,14)15)16-17(7)6-8-3-4-9(20-8)11(18)19-2/h3-5H,6H2,1-2H3
InChIKeyOEPZEFLBTTVFTK-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.64
Rot. Bonds3

About methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate

methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate (PubChem CID 889878) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate
PubChem CID889878
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Namemethyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2nc(C(F)(F)F)cc2C)o1
InChIInChI=1S/C12H11F3N2O3/c1-7-5-10(12(13,14)15)16-17(7)6-8-3-4-9(20-8)11(18)19-2/h3-5H,6H2,1-2H3
InChIKeyOEPZEFLBTTVFTK-UHFFFAOYSA-N
XLogP2.64
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-((4-chloro-1H-pyrazol-1-yl)methyl)furan-2-carboxylate
CID 914296
5-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 914321
5-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-furan-2-carboxylic acid methyl ester
CID 948805
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid
CID 658387
5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid
CID 777837
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
methyl 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate
CID 674802
N-(2-furylmethyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-furamide
CID 1091759
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoic acid
CID 1091758
1-{[5-(methoxycarbonyl)-2-furyl]methyl}-2,3,5-trimethyl-1H-pyrazol-2-ium iodide
CID 2925865
[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 4184674
3,5-dimethyl-1-(5-methyl-2-furoyl)-1H-pyrazole
CID 896671

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate (CID 889878) is methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2nc(C(F)(F)F)cc2C)o1.
What is the InChIKey of methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate?
The InChIKey is OEPZEFLBTTVFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-7-5-10(12(13,14)15)16-17(7)6-8-3-4-9(20-8)11(18)19-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate has a molecular weight of 288.23 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 889878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).