3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole

C8H4F3N3O2 — CID 162662323

IUPAC3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole
SMILESO=Nc1c(-c2ccco2)n[nH]c1C(F)(F)F
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)7-6(14-15)5(12-13-7)4-2-1-3-16-4/h1-3H,(H,12,13)
InChIKeyJDOBTNSNDVPIHW-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.09
Rot. Bonds2

About 3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole

3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 162662323) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole
PubChem CID162662323
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole
SMILESO=Nc1c(-c2ccco2)n[nH]c1C(F)(F)F
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)7-6(14-15)5(12-13-7)4-2-1-3-16-4/h1-3H,(H,12,13)
InChIKeyJDOBTNSNDVPIHW-UHFFFAOYSA-N
XLogP3.09
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole (CID 162662323) is 3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole is O=Nc1c(-c2ccco2)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is JDOBTNSNDVPIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)7-6(14-15)5(12-13-7)4-2-1-3-16-4/h1-3H,(H,12,13).
What are the key properties of 3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole?
3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 231.13 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 162662323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).