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

C9H6F3N3O2 — CID 162663903

IUPAC5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)c(N=O)c1-c1ccco1
InChIInChI=1S/C9H6F3N3O2/c1-15-7(5-3-2-4-17-5)6(14-16)8(13-15)9(10,11)12/h2-4H,1H3
InChIKeyIKLFTBBSHXHYMZ-UHFFFAOYSA-N
MW245.16 g/mol
LogP3.10
Rot. Bonds2

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

5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole (PubChem CID 162663903) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole
PubChem CID162663903
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)c(N=O)c1-c1ccco1
InChIInChI=1S/C9H6F3N3O2/c1-15-7(5-3-2-4-17-5)6(14-16)8(13-15)9(10,11)12/h2-4H,1H3
InChIKeyIKLFTBBSHXHYMZ-UHFFFAOYSA-N
XLogP3.10
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Furan-2-yl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155894714
3-(furan-2-yl)-4-nitroso-5-(trifluoromethyl)-1H-pyrazole
CID 162662323
5-(Furan-2-yl)-1-methyl-1H-pyrazole-3-carbaldehyde
CID 18525801
Cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium
CID 53248733
5-(Furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole
CID 118741312
3-(furan-2-yl)-1-methyl-1H-pyrazol-4-amine
CID 83216523
3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carbaldehyde
CID 83816616
5-(Furan-2-yl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 24865870
5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 25137214
3-(Difluoromethyl)-1-ethyl-5-(furan-2-yl)pyrazole
CID 137956586
1-Tert-butyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
CID 71508183
5-(2-furyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 10639622

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole (CID 162663903) is 5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)c(N=O)c1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole?
The InChIKey is IKLFTBBSHXHYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c1-15-7(5-3-2-4-17-5)6(14-16)8(13-15)9(10,11)12/h2-4H,1H3.
What are the key properties of 5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole?
5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole has a molecular weight of 245.16 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 162663903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).