2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole

C17H18ClF3N6O — CID 19552430

IUPAC2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nn(CCc2nnc(Cn3nc(C(F)(F)F)cc3C3CC3)o2)c(C)c1Cl
InChIInChI=1S/C17H18ClF3N6O/c1-9-16(18)10(2)26(24-9)6-5-14-22-23-15(28-14)8-27-12(11-3-4-11)7-13(25-27)17(19,20)21/h7,11H,3-6,8H2,1-2H3
InChIKeyNPUCLTAVPBZMFN-UHFFFAOYSA-N
MW414.82 g/mol
LogP3.92
Rot. Bonds6

About 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole

2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 19552430) has the molecular formula C17H18ClF3N6O and a molecular weight of 414.82 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID19552430
Molecular FormulaC17H18ClF3N6O
Molecular Weight414.82 g/mol
Exact Mass414.12
IUPAC Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nn(CCc2nnc(Cn3nc(C(F)(F)F)cc3C3CC3)o2)c(C)c1Cl
InChIInChI=1S/C17H18ClF3N6O/c1-9-16(18)10(2)26(24-9)6-5-14-22-23-15(28-14)8-27-12(11-3-4-11)7-13(25-27)17(19,20)21/h7,11H,3-6,8H2,1-2H3
InChIKeyNPUCLTAVPBZMFN-UHFFFAOYSA-N
XLogP3.92
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole (CID 19552430) is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole is Cc1nn(CCc2nnc(Cn3nc(C(F)(F)F)cc3C3CC3)o2)c(C)c1Cl.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is NPUCLTAVPBZMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N6O/c1-9-16(18)10(2)26(24-9)6-5-14-22-23-15(28-14)8-27-12(11-3-4-11)7-13(25-27)17(19,20)21/h7,11H,3-6,8H2,1-2H3.
What are the key properties of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole?
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 414.82 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).