1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole

C7H7F5N2 — CID 14836875

IUPAC1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
SMILESCc1cc(C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C7H7F5N2/c1-4-3-5(13-14(4)2)6(8,9)7(10,11)12/h3H,1-2H3
InChIKeyCAEDRGXKPYBGED-UHFFFAOYSA-N
MW214.14 g/mol
LogP2.38
Rot. Bonds1

About 1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole

1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole (PubChem CID 14836875) has the molecular formula C7H7F5N2 and a molecular weight of 214.14 g/mol. Its IUPAC name is 1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
PubChem CID14836875
Molecular FormulaC7H7F5N2
Molecular Weight214.14 g/mol
Exact Mass214.05
IUPAC Name1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
SMILESCc1cc(C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C7H7F5N2/c1-4-3-5(13-14(4)2)6(8,9)7(10,11)12/h3H,1-2H3
InChIKeyCAEDRGXKPYBGED-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-Trimethylpyrazole
CID 14081
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-amine
CID 16640649
(1,3-Dimethyl-1H-pyrazol-5-yl)acetonitrile
CID 17750407
1H-Pyrazole, 3-(chloromethyl)-1-methyl-5-(trifluoromethyl)-
CID 21698122
5-(chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 21698230
1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonitrile
CID 50896767
2-(1,3-Dimethyl-1H-pyrazol-5-YL)ethanamine
CID 53415550
5-(bromomethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 68964978
5-(difluoromethyl)-3-ethynyl-1-methyl-1H-pyrazole
CID 176270227
1-(Difluoromethyl)-3,5-dimethylpyrazole
CID 2060834
1-Methyl-3,5-bis(trifluoro-methyl)-1h-pyrazole
CID 20798616

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The IUPAC name of 1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole (CID 14836875) is 1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole.
What is the SMILES notation for 1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The canonical SMILES for 1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole is Cc1cc(C(F)(F)C(F)(F)F)nn1C.
What is the InChIKey of 1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The InChIKey is CAEDRGXKPYBGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N2/c1-4-3-5(13-14(4)2)6(8,9)7(10,11)12/h3H,1-2H3.
What are the key properties of 1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole?
1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole has a molecular weight of 214.14 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole is sourced from PubChem (CID 14836875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).