4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole

C8H11F3N2 — CID 88973126

IUPAC4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole
SMILESCCc1c(C)nn(C)c1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-4-6-5(2)12-13(3)7(6)8(9,10)11/h4H2,1-3H3
InChIKeyQNHKGBBAHJUGNF-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.31
Rot. Bonds1

About 4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole

4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole (PubChem CID 88973126) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole
PubChem CID88973126
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole
SMILESCCc1c(C)nn(C)c1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-4-6-5(2)12-13(3)7(6)8(9,10)11/h4H2,1-3H3
InChIKeyQNHKGBBAHJUGNF-UHFFFAOYSA-N
XLogP2.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethynyl-1,3,5-trimethyl-1H-pyrazole
CID 12299300
1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
4-Iodo-1,3,5-trimethyl-1H-pyrazole
CID 616702
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
1,3,5-Trimethyl-4-(tributylstannyl)-1H-pyrazole
CID 85801900
1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime
CID 9559822
Sbb010340
CID 6492580
2-(trimethyl-1H-pyrazol-4-yl)acetonitrile
CID 13792877
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
1-(Difluoromethyl)-3,5-dimethylpyrazole
CID 2060834
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole (CID 88973126) is 4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole is CCc1c(C)nn(C)c1C(F)(F)F.
What is the InChIKey of 4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole?
The InChIKey is QNHKGBBAHJUGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-4-6-5(2)12-13(3)7(6)8(9,10)11/h4H2,1-3H3.
What are the key properties of 4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole?
4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 88973126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).