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

C15H8F3N3O — CID 70065867

IUPAC2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1occc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C15H8F3N3O/c16-15(17,18)13-7-12(20-21-13)11-5-6-22-14(11)10-4-2-1-3-9(10)8-19/h1-7H,(H,20,21)
InChIKeyQXMWRLAWHGLFLK-UHFFFAOYSA-N
MW303.24 g/mol
LogP4.23
Rot. Bonds2

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

2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile (PubChem CID 70065867) has the molecular formula C15H8F3N3O and a molecular weight of 303.24 g/mol. Its IUPAC name is 2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile
PubChem CID70065867
Molecular FormulaC15H8F3N3O
Molecular Weight303.24 g/mol
Exact Mass303.06
IUPAC Name2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1occc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C15H8F3N3O/c16-15(17,18)13-7-12(20-21-13)11-5-6-22-14(11)10-4-2-1-3-9(10)8-19/h1-7H,(H,20,21)
InChIKeyQXMWRLAWHGLFLK-UHFFFAOYSA-N
XLogP4.23
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-4-(furan-2-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3128137
6-Amino-4-[5-(2-cyanophenyl)-2-furyl]-3-methyl-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
CID 650594
2-[5-(2-Furyl)-1H-pyrazol-3-yl]phenol
CID 614686
5-(2-Furyl)-3-(trifluoromethyl)pyrazole
CID 12007125
6-Amino-4-(2-furanyl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961870
6-Amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3969561
6-Amino-3-(4-fluorophenyl)-4-(furan-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3396508
6-Amino-4-(2-furyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3882909
5-(furan-2-yl)-3-phenyl-1H-pyrazole
CID 835422
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile?
The IUPAC name of 2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile (CID 70065867) is 2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile.
What is the SMILES notation for 2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile?
The canonical SMILES for 2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile is N#Cc1ccccc1-c1occc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile?
The InChIKey is QXMWRLAWHGLFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O/c16-15(17,18)13-7-12(20-21-13)11-5-6-22-14(11)10-4-2-1-3-9(10)8-19/h1-7H,(H,20,21).
What are the key properties of 2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile?
2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile has a molecular weight of 303.24 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]benzonitrile is sourced from PubChem (CID 70065867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).