1,4-diethyl-3-(trifluoromethyl)pyrazole

C8H11F3N2 — CID 155736271

IUPAC1,4-diethyl-3-(trifluoromethyl)pyrazole
SMILESCCc1cn(CC)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-6-5-13(4-2)12-7(6)8(9,10)11/h5H,3-4H2,1-2H3
InChIKeyDNCNGLWQPWUALU-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.48
Rot. Bonds2

About 1,4-diethyl-3-(trifluoromethyl)pyrazole

1,4-diethyl-3-(trifluoromethyl)pyrazole (PubChem CID 155736271) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1,4-diethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,4-diethyl-3-(trifluoromethyl)pyrazole
PubChem CID155736271
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1,4-diethyl-3-(trifluoromethyl)pyrazole
SMILESCCc1cn(CC)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-6-5-13(4-2)12-7(6)8(9,10)11/h5H,3-4H2,1-2H3
InChIKeyDNCNGLWQPWUALU-UHFFFAOYSA-N
XLogP2.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 59818031
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylamine
CID 578961
1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6483877
1-(1,5-Dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 17024833
1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 24993123
4-(bromomethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 69148193
4-ethynyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 90168109
4-Ethynyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 118004021
[4-(difluoromethyl)-1-methyl-1H-pyrazol-3-yl]methanamine
CID 121351490
(1-Ethyl-3-methyl-1H-pyrazol-4-ylmethyl)-methyl-amine
CID 6487607
1,3,4-Trimethylpyrazole
CID 2733984
1,4,5-Trimethylpyrazole
CID 12115801

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1,4-diethyl-3-(trifluoromethyl)pyrazole (CID 155736271) is 1,4-diethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,4-diethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,4-diethyl-3-(trifluoromethyl)pyrazole is CCc1cn(CC)nc1C(F)(F)F.
What is the InChIKey of 1,4-diethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is DNCNGLWQPWUALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-6-5-13(4-2)12-7(6)8(9,10)11/h5H,3-4H2,1-2H3.
What are the key properties of 1,4-diethyl-3-(trifluoromethyl)pyrazole?
1,4-diethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 155736271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).