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

C19H13F3N4O — CID 985777

IUPAC2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cnn1-c1ccccc1
InChIInChI=1S/C19H13F3N4O/c1-12-16(11-23-26(12)15-5-3-2-4-6-15)18-25-24-17(27-18)13-7-9-14(10-8-13)19(20,21)22/h2-11H,1H3
InChIKeyHYELPRHZEGCNDS-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.92
Rot. Bonds3

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

2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 985777) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID985777
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cnn1-c1ccccc1
InChIInChI=1S/C19H13F3N4O/c1-12-16(11-23-26(12)15-5-3-2-4-6-15)18-25-24-17(27-18)13-7-9-14(10-8-13)19(20,21)22/h2-11H,1H3
InChIKeyHYELPRHZEGCNDS-UHFFFAOYSA-N
XLogP4.92
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-diphenyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-amine
CID 702070
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
CID 2108242
2-[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 17014847
2-[3-(4-Nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934258
2-(1,3-Diphenyl-1H-pyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
CID 46934113
2-(Difluoromethyl)-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 155712024
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]aniline
CID 162443482
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]acetamide
CID 162721933
3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N-ethylaniline
CID 162721943
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]aniline
CID 162721958
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine
CID 162722002
4-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]aniline
CID 162722085

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 985777) is 2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is Cc1c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cnn1-c1ccccc1.
What is the InChIKey of 2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is HYELPRHZEGCNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c1-12-16(11-23-26(12)15-5-3-2-4-6-15)18-25-24-17(27-18)13-7-9-14(10-8-13)19(20,21)22/h2-11H,1H3.
What are the key properties of 2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 370.33 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 985777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).