5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole

C16H13F3N4O — CID 166210810

IUPAC5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole
SMILESCn1nccc1-c1nc(C2(c3cccc(C(F)(F)F)c3)CC2)no1
InChIInChI=1S/C16H13F3N4O/c1-23-12(5-8-20-23)13-21-14(22-24-13)15(6-7-15)10-3-2-4-11(9-10)16(17,18)19/h2-5,8-9H,6-7H2,1H3
InChIKeyAITWHXMIWCKWPY-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.57
Rot. Bonds3

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

5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole (PubChem CID 166210810) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole
PubChem CID166210810
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole
SMILESCn1nccc1-c1nc(C2(c3cccc(C(F)(F)F)c3)CC2)no1
InChIInChI=1S/C16H13F3N4O/c1-23-12(5-8-20-23)13-21-14(22-24-13)15(6-7-15)10-3-2-4-11(9-10)16(17,18)19/h2-5,8-9H,6-7H2,1H3
InChIKeyAITWHXMIWCKWPY-UHFFFAOYSA-N
XLogP3.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-one
CID 166307750
1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 55132350
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 62920980
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine
CID 111687382
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
1-ethyl-2-[(2-methylpyrazol-3-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine
CID 111687456
3-(2-methylpropyl)-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,2,4-oxadiazole
CID 154748305
N-methyl-1-[5-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120868974
1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
5-[2-(2,2-difluoroethyl)pyrazol-3-yl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 138005536
3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one
CID 154781523
N-methyl-1-[5-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867345

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole (CID 166210810) is 5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole is Cn1nccc1-c1nc(C2(c3cccc(C(F)(F)F)c3)CC2)no1.
What is the InChIKey of 5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is AITWHXMIWCKWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-23-12(5-8-20-23)13-21-14(22-24-13)15(6-7-15)10-3-2-4-11(9-10)16(17,18)19/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole?
5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 334.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166210810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).