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

C9H9F3N4 — CID 122633587

IUPAC5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1-c1nccn1C
InChIInChI=1S/C9H9F3N4/c1-6-5-7(9(10,11)12)14-16(6)8-13-3-4-15(8)2/h3-5H,1-2H3
InChIKeyKSVIPMYLXAVAPI-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.93
Rot. Bonds1

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

5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 122633587) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID122633587
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1-c1nccn1C
InChIInChI=1S/C9H9F3N4/c1-6-5-7(9(10,11)12)14-16(6)8-13-3-4-15(8)2/h3-5H,1-2H3
InChIKeyKSVIPMYLXAVAPI-UHFFFAOYSA-N
XLogP1.93
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole (CID 122633587) is 5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)nn1-c1nccn1C.
What is the InChIKey of 5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is KSVIPMYLXAVAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-6-5-7(9(10,11)12)14-16(6)8-13-3-4-15(8)2/h3-5H,1-2H3.
What are the key properties of 5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole?
5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 230.19 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 122633587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).