5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole

C12H10ClF3N6O — CID 166252730

IUPAC5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2noc(Cn3nc(C(F)(F)F)c(Cl)c3C)n2)[nH]1
InChIInChI=1S/C12H10ClF3N6O/c1-5-3-17-10(18-5)11-19-7(23-21-11)4-22-6(2)8(13)9(20-22)12(14,15)16/h3H,4H2,1-2H3,(H,17,18)
InChIKeyRUPHAONSUDDJSM-UHFFFAOYSA-N
MW346.70 g/mol
LogP2.99
Rot. Bonds3

About 5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole

5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole (PubChem CID 166252730) has the molecular formula C12H10ClF3N6O and a molecular weight of 346.70 g/mol. Its IUPAC name is 5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole
PubChem CID166252730
Molecular FormulaC12H10ClF3N6O
Molecular Weight346.70 g/mol
Exact Mass346.06
IUPAC Name5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2noc(Cn3nc(C(F)(F)F)c(Cl)c3C)n2)[nH]1
InChIInChI=1S/C12H10ClF3N6O/c1-5-3-17-10(18-5)11-19-7(23-21-11)4-22-6(2)8(13)9(20-22)12(14,15)16/h3H,4H2,1-2H3,(H,17,18)
InChIKeyRUPHAONSUDDJSM-UHFFFAOYSA-N
XLogP2.99
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole (CID 166252730) is 5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole is Cc1cnc(-c2noc(Cn3nc(C(F)(F)F)c(Cl)c3C)n2)[nH]1.
What is the InChIKey of 5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is RUPHAONSUDDJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N6O/c1-5-3-17-10(18-5)11-19-7(23-21-11)4-22-6(2)8(13)9(20-22)12(14,15)16/h3H,4H2,1-2H3,(H,17,18).
What are the key properties of 5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole?
5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole has a molecular weight of 346.70 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166252730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).