1,3,4-trimethyl-5-(trifluoromethyl)pyrazole

C7H9F3N2 — CID 23392033

IUPAC1,3,4-trimethyl-5-(trifluoromethyl)pyrazole
SMILESCc1nn(C)c(C(F)(F)F)c1C
InChIInChI=1S/C7H9F3N2/c1-4-5(2)11-12(3)6(4)7(8,9)10/h1-3H3
InChIKeyAWROEDFCJUVGQW-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.06
Rot. Bonds

About 1,3,4-trimethyl-5-(trifluoromethyl)pyrazole

1,3,4-trimethyl-5-(trifluoromethyl)pyrazole (PubChem CID 23392033) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,3,4-trimethyl-5-(trifluoromethyl)pyrazole
PubChem CID23392033
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name1,3,4-trimethyl-5-(trifluoromethyl)pyrazole
SMILESCc1nn(C)c(C(F)(F)F)c1C
InChIInChI=1S/C7H9F3N2/c1-4-5(2)11-12(3)6(4)7(8,9)10/h1-3H3
InChIKeyAWROEDFCJUVGQW-UHFFFAOYSA-N
XLogP2.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethynyl-1,3,5-trimethyl-1H-pyrazole
CID 12299300
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
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-1H-pyrazole-4-carbaldehyde oxime
CID 9559822
Sbb010340
CID 6492580
4-Bromo-1,5-Dimethyl-3-(Trifluoromethyl)-1H-Pyrazole
CID 11859045
2-(trimethyl-1H-pyrazol-4-yl)acetonitrile
CID 13792877
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
4-bromo-3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 62128429

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1,3,4-trimethyl-5-(trifluoromethyl)pyrazole (CID 23392033) is 1,3,4-trimethyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,3,4-trimethyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,3,4-trimethyl-5-(trifluoromethyl)pyrazole is Cc1nn(C)c(C(F)(F)F)c1C.
What is the InChIKey of 1,3,4-trimethyl-5-(trifluoromethyl)pyrazole?
The InChIKey is AWROEDFCJUVGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4-5(2)11-12(3)6(4)7(8,9)10/h1-3H3.
What are the key properties of 1,3,4-trimethyl-5-(trifluoromethyl)pyrazole?
1,3,4-trimethyl-5-(trifluoromethyl)pyrazole has a molecular weight of 178.16 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 23392033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).