5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole

C10H11F3N4 — CID 134331654

IUPAC5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1-c1nccn1C
InChIInChI=1S/C10H11F3N4/c1-3-7-6-8(10(11,12)13)15-17(7)9-14-4-5-16(9)2/h4-6H,3H2,1-2H3
InChIKeyDKKZHOMHFMSZQN-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.19
Rot. Bonds2

About 5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole

5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 134331654) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID134331654
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1-c1nccn1C
InChIInChI=1S/C10H11F3N4/c1-3-7-6-8(10(11,12)13)15-17(7)9-14-4-5-16(9)2/h4-6H,3H2,1-2H3
InChIKeyDKKZHOMHFMSZQN-UHFFFAOYSA-N
XLogP2.19
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole (CID 134331654) is 5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole is CCc1cc(C(F)(F)F)nn1-c1nccn1C.
What is the InChIKey of 5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is DKKZHOMHFMSZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-3-7-6-8(10(11,12)13)15-17(7)9-14-4-5-16(9)2/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole?
5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 244.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 134331654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).