3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole

C8H5F3N2O — CID 150566044

IUPAC3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccoc2)n[nH]1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)7-3-6(12-13-7)5-1-2-14-4-5/h1-4H,(H,12,13)
InChIKeyIKVSXSQBKDZWLJ-UHFFFAOYSA-N
MW202.14 g/mol
LogP2.69
Rot. Bonds1

About 3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole

3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 150566044) has the molecular formula C8H5F3N2O and a molecular weight of 202.14 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID150566044
Molecular FormulaC8H5F3N2O
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccoc2)n[nH]1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)7-3-6(12-13-7)5-1-2-14-4-5/h1-4H,(H,12,13)
InChIKeyIKVSXSQBKDZWLJ-UHFFFAOYSA-N
XLogP2.69
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
2-[5-(2-Furyl)-1H-pyrazol-3-yl]phenol
CID 614686
5-(2-Furyl)-3-(trifluoromethyl)pyrazole
CID 12007125
Methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate
CID 2743394
3-[[5-(furan-3-yl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine
CID 10585842
5-(furan-2-yl)-3-phenyl-1H-pyrazole
CID 835422
3-(furan-3-yl)-1H-indazole-5-carboxamide
CID 22479981
3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid
CID 39870608
2-(3-(Furan-2-YL)-1H-pyrazol-5-YL)aniline
CID 10823070
5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole
CID 155551167
1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol
CID 155563594
5-[(3,5-difluorophenyl)methyl]-3-(furan-3-yl)-1H-indazole
CID 177381921

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole (CID 150566044) is 3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(-c2ccoc2)n[nH]1.
What is the InChIKey of 3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is IKVSXSQBKDZWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)7-3-6(12-13-7)5-1-2-14-4-5/h1-4H,(H,12,13).
What are the key properties of 3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole?
3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 202.14 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 150566044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).