1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole

C8H13F3N2 — CID 146392955

IUPAC1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole
SMILESCC1=C(C)N(C)N(C)C1C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-5-6(2)12(3)13(4)7(5)8(9,10)11/h7H,1-4H3
InChIKeyRNNHHDPKXHPEQH-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.00
Rot. Bonds

About 1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole

1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole (PubChem CID 146392955) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole
PubChem CID146392955
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole
SMILESCC1=C(C)N(C)N(C)C1C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-5-6(2)12(3)13(4)7(5)8(9,10)11/h7H,1-4H3
InChIKeyRNNHHDPKXHPEQH-UHFFFAOYSA-N
XLogP2.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole?
The IUPAC name of 1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole (CID 146392955) is 1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole.
What is the SMILES notation for 1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole?
The canonical SMILES for 1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole is CC1=C(C)N(C)N(C)C1C(F)(F)F.
What is the InChIKey of 1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole?
The InChIKey is RNNHHDPKXHPEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-5-6(2)12(3)13(4)7(5)8(9,10)11/h7H,1-4H3.
What are the key properties of 1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole?
1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole has a molecular weight of 194.20 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3-(trifluoromethyl)-3H-pyrazole is sourced from PubChem (CID 146392955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).