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

C15H8F3N3O — CID 15880986

IUPAC3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
SMILESN#Cc1cccc(-n2nc(C(F)(F)F)cc2-c2ccco2)c1
InChIInChI=1S/C15H8F3N3O/c16-15(17,18)14-8-12(13-5-2-6-22-13)21(20-14)11-4-1-3-10(7-11)9-19/h1-8H
InChIKeyBKOAXBCOJMWUKA-UHFFFAOYSA-N
MW303.24 g/mol
LogP4.02
Rot. Bonds2

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

3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile (PubChem CID 15880986) has the molecular formula C15H8F3N3O and a molecular weight of 303.24 g/mol. Its IUPAC name is 3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
PubChem CID15880986
Molecular FormulaC15H8F3N3O
Molecular Weight303.24 g/mol
Exact Mass303.06
IUPAC Name3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
SMILESN#Cc1cccc(-n2nc(C(F)(F)F)cc2-c2ccco2)c1
InChIInChI=1S/C15H8F3N3O/c16-15(17,18)14-8-12(13-5-2-6-22-13)21(20-14)11-4-1-3-10(7-11)9-19/h1-8H
InChIKeyBKOAXBCOJMWUKA-UHFFFAOYSA-N
XLogP4.02
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Furan-2-yl)-3-methyl-1-phenylpyrazole
CID 708752
5-(2-furyl)-1-(4-methoxy-phenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 22240519
3-(2-furyl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 977044
3-acetyl-5-(2-furyl)-1-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile
CID 1214583
Ethyl 3-(furan-2-yl)-1-(4-methylphenyl)pyrazole-5-carboxylate
CID 2366791
3-(furan-2-yl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 812102
4-[5-(Furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727535
4-[5-(Furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 71727430
4-(5-Furan-2-yl-3-trifluoromethylpyrazol-1-yl)-benzenesulfonamide
CID 22315512
1-(3,5-Bis(trifluoromethyl)phenyl)-3-(furan-2-yl)-1H-pyrazol-5-amine
CID 2742742
N-{[5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
CID 71797318
Antioxidant agent-17
CID 169450283

Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile?
The IUPAC name of 3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile (CID 15880986) is 3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile?
The canonical SMILES for 3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile is N#Cc1cccc(-n2nc(C(F)(F)F)cc2-c2ccco2)c1.
What is the InChIKey of 3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile?
The InChIKey is BKOAXBCOJMWUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O/c16-15(17,18)14-8-12(13-5-2-6-22-13)21(20-14)11-4-1-3-10(7-11)9-19/h1-8H.
What are the key properties of 3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile?
3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile has a molecular weight of 303.24 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 15880986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).