ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole

C11H15F3N4 — CID 144862615

IUPACethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCC.Cc1cc(C(F)(F)F)nn1-c1nccn1C
InChIInChI=1S/C9H9F3N4.C2H6/c1-6-5-7(9(10,11)12)14-16(6)8-13-3-4-15(8)2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyUPAVXGMKBNFPJE-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.96
Rot. Bonds1

About ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole

ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 144862615) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID144862615
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Nameethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCC.Cc1cc(C(F)(F)F)nn1-c1nccn1C
InChIInChI=1S/C9H9F3N4.C2H6/c1-6-5-7(9(10,11)12)14-16(6)8-13-3-4-15(8)2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyUPAVXGMKBNFPJE-UHFFFAOYSA-N
XLogP2.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole (CID 144862615) is ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole is CC.Cc1cc(C(F)(F)F)nn1-c1nccn1C.
What is the InChIKey of ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is UPAVXGMKBNFPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4.C2H6/c1-6-5-7(9(10,11)12)14-16(6)8-13-3-4-15(8)2;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole?
ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 260.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 144862615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).