5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

C18H12F3N5O — CID 99130352

IUPAC5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1c(-c2nc(-c3ccncc3)no2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F3N5O/c1-11-15(17-24-16(25-27-17)12-5-7-22-8-6-12)10-23-26(11)14-4-2-3-13(9-14)18(19,20)21/h2-10H,1H3
InChIKeyDROKXLCBXAAHEN-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.31
Rot. Bonds3

About 5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 99130352) has the molecular formula C18H12F3N5O and a molecular weight of 371.32 g/mol. Its IUPAC name is 5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID99130352
Molecular FormulaC18H12F3N5O
Molecular Weight371.32 g/mol
Exact Mass371.10
IUPAC Name5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1c(-c2nc(-c3ccncc3)no2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F3N5O/c1-11-15(17-24-16(25-27-17)12-5-7-22-8-6-12)10-23-26(11)14-4-2-3-13(9-14)18(19,20)21/h2-10H,1H3
InChIKeyDROKXLCBXAAHEN-UHFFFAOYSA-N
XLogP4.31
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
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5-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2808028
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
3-(3-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904392
5-[3-methyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2740227
1-[5-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120865089
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2807799
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
2-(3-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one
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Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 99130352) is 5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is Cc1c(-c2nc(-c3ccncc3)no2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is DROKXLCBXAAHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O/c1-11-15(17-24-16(25-27-17)12-5-7-22-8-6-12)10-23-26(11)14-4-2-3-13(9-14)18(19,20)21/h2-10H,1H3.
What are the key properties of 5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 371.32 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 99130352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).