1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole

C11H13F3N4 — CID 134331661

IUPAC1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1-c1cncn1C
InChIInChI=1S/C11H13F3N4/c1-7(2)8-4-9(11(12,13)14)16-18(8)10-5-15-6-17(10)3/h4-7H,1-3H3
InChIKeyGXBRUBQYONOYOV-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.75
Rot. Bonds2

About 1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole

1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 134331661) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID134331661
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1-c1cncn1C
InChIInChI=1S/C11H13F3N4/c1-7(2)8-4-9(11(12,13)14)16-18(8)10-5-15-6-17(10)3/h4-7H,1-3H3
InChIKeyGXBRUBQYONOYOV-UHFFFAOYSA-N
XLogP2.75
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 134331661) is 1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)c1cc(C(F)(F)F)nn1-c1cncn1C.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is GXBRUBQYONOYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-7(2)8-4-9(11(12,13)14)16-18(8)10-5-15-6-17(10)3/h4-7H,1-3H3.
What are the key properties of 1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 258.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 134331661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).