5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one

C20H12F5N5O3 — CID 162243635

IUPAC5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one
SMILESCn1nc(-c2cc(C(F)(F)F)n(-c3ccc(CC(=O)c4c(F)cccc4F)cn3)n2)oc1=O
InChIInChI=1S/C20H12F5N5O3/c1-29-19(32)33-18(28-29)13-8-15(20(23,24)25)30(27-13)16-6-5-10(9-26-16)7-14(31)17-11(21)3-2-4-12(17)22/h2-6,8-9H,7H2,1H3
InChIKeyYNTFMFMYZACGEX-UHFFFAOYSA-N
MW465.34 g/mol
LogP3.34
Rot. Bonds5

About 5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one

5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one (PubChem CID 162243635) has the molecular formula C20H12F5N5O3 and a molecular weight of 465.34 g/mol. Its IUPAC name is 5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one
PubChem CID162243635
Molecular FormulaC20H12F5N5O3
Molecular Weight465.34 g/mol
Exact Mass465.09
IUPAC Name5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one
SMILESCn1nc(-c2cc(C(F)(F)F)n(-c3ccc(CC(=O)c4c(F)cccc4F)cn3)n2)oc1=O
InChIInChI=1S/C20H12F5N5O3/c1-29-19(32)33-18(28-29)13-8-15(20(23,24)25)30(27-13)16-6-5-10(9-26-16)7-14(31)17-11(21)3-2-4-12(17)22/h2-6,8-9H,7H2,1H3
InChIKeyYNTFMFMYZACGEX-UHFFFAOYSA-N
XLogP3.34
TPSA95.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
methyl 6-(3-phenyl-5-trifluoromethyl-1H-pyrazol-1-yl) nicotinate
CID 139220118
Methyl 6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylate;hydrochloride
CID 139220123
Ethyl 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate
CID 22427678
Ethyl 1-(pyridin-2-YL)-5-[3-(2,3,5-trifluorobenzamido)phenyl]-1H-pyrazole-3-carboxylate
CID 46094128
5-(4-Fluorophenyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 20116627
6,8-Dimethyl-2-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-3,1-benzoxazin-4-one
CID 57780070
methyl 1-(3-chloropyridin-2-yl)-3-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrazole-5-carboxylate
CID 66587532
Methyl 1-(5-fluoropyridin-2-yl)-3-phenyl-1H-pyrazole-4-carboxylate
CID 66679523
Ethyl 3-(2-phenylethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate
CID 66778202
(1aR,5aR)-2-(5-Fluoropyridin-2-yl)-1a,2,5,5a-tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalene-4-carboxylic Acid Ethyl Ester
CID 68182484

Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one (CID 162243635) is 5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one is Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(CC(=O)c4c(F)cccc4F)cn3)n2)oc1=O.
What is the InChIKey of 5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one?
The InChIKey is YNTFMFMYZACGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5N5O3/c1-29-19(32)33-18(28-29)13-8-15(20(23,24)25)30(27-13)16-6-5-10(9-26-16)7-14(31)17-11(21)3-2-4-12(17)22/h2-6,8-9H,7H2,1H3.
What are the key properties of 5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one?
5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 465.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 162243635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).