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

C12H8F3N5O — CID 4777475

IUPAC2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCn1nc(-c2nnc(-c3ccncc3)o2)cc1C(F)(F)F
InChIInChI=1S/C12H8F3N5O/c1-20-9(12(13,14)15)6-8(19-20)11-18-17-10(21-11)7-2-4-16-5-3-7/h2-6H,1H3
InChIKeyYJXPNNOVXYPTOR-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.55
Rot. Bonds2

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

2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 4777475) has the molecular formula C12H8F3N5O and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID4777475
Molecular FormulaC12H8F3N5O
Molecular Weight295.22 g/mol
Exact Mass295.07
IUPAC Name2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCn1nc(-c2nnc(-c3ccncc3)o2)cc1C(F)(F)F
InChIInChI=1S/C12H8F3N5O/c1-20-9(12(13,14)15)6-8(19-20)11-18-17-10(21-11)7-2-4-16-5-3-7/h2-6H,1H3
InChIKeyYJXPNNOVXYPTOR-UHFFFAOYSA-N
XLogP2.55
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-2-amino-N-(3-(5-(5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzyl)propanamide
CID 44574242
2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole
CID 154998731
4-[5-(Trifluoromethyl)-1,3,4-oxa-diazol-2-yl]pyridine
CID 44424113
2-[2-(Trifluoromethyl)-4-pyridyl]-1,3,4-oxadiazole
CID 150896500
3-Pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92577767
2-[1-[(2-Fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,3,4-oxadiazole
CID 56598919
US12202823, Example 42
CID 162767602
3-{5-[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,3,4-oxadiazol-2-yl}pyridine
CID 29137297
2-(1-Methylpyrazol-3-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139220119
2-(2-Fluorophenyl)-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3,4-oxadiazole
CID 139236726
2-(4-Fluorophenyl)-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3,4-oxadiazole
CID 139236727
2-(2-Ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2744338

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 4777475) is 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is Cn1nc(-c2nnc(-c3ccncc3)o2)cc1C(F)(F)F.
What is the InChIKey of 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is YJXPNNOVXYPTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5O/c1-20-9(12(13,14)15)6-8(19-20)11-18-17-10(21-11)7-2-4-16-5-3-7/h2-6H,1H3.
What are the key properties of 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 295.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 4777475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).