3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole

C9H7F3N2 — CID 157347458

IUPAC3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole
SMILESFC(F)(F)C1=CC(=C2C=CC=C2)NN1
InChIInChI=1S/C9H7F3N2/c10-9(11,12)8-5-7(13-14-8)6-3-1-2-4-6/h1-5,13-14H
InChIKeyFGZLKPYWNDNJPW-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.92
Rot. Bonds

About 3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole

3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole (PubChem CID 157347458) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole
PubChem CID157347458
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole
SMILESFC(F)(F)C1=CC(=C2C=CC=C2)NN1
InChIInChI=1S/C9H7F3N2/c10-9(11,12)8-5-7(13-14-8)6-3-1-2-4-6/h1-5,13-14H
InChIKeyFGZLKPYWNDNJPW-UHFFFAOYSA-N
XLogP1.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,2,2-Trifluoroethyl)cyclopenta-1,3-dien-1-yl]hydrazine
CID 117622091
ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine
CID 143772148
[(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine
CID 143782177
[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]hydrazine
CID 143936287
Neptunium;[4-(trifluoromethyl)benzene-3,5-diid-1-yl]hydrazine
CID 163600058
[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine
CID 143772149
3-(3-Fluorocyclohexa-2,4-dien-1-ylidene)-5-(trifluoromethyl)-1,2-dihydropyrazole
CID 162580919
3-ethenyl-5-methylidene-4-[(Z)-prop-1-enyl]-1,2-dihydropyrazole
CID 134468708

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole?
The IUPAC name of 3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole (CID 157347458) is 3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole is FC(F)(F)C1=CC(=C2C=CC=C2)NN1.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole?
The InChIKey is FGZLKPYWNDNJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c10-9(11,12)8-5-7(13-14-8)6-3-1-2-4-6/h1-5,13-14H.
What are the key properties of 3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole?
3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole has a molecular weight of 200.16 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-ylidene-5-(trifluoromethyl)-1,2-dihydropyrazole is sourced from PubChem (CID 157347458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).