5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole

C25H27F3N6O3 — CID 150023689

IUPAC5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole
SMILESCc1cc(C2=NN(c3ccc(OC(F)(F)F)cc3)CO2)nn1Cc1ccc(OCCN2CCCC2)nc1
InChIInChI=1S/C25H27F3N6O3/c1-18-14-22(24-31-34(17-36-24)20-5-7-21(8-6-20)37-25(26,27)28)30-33(18)16-19-4-9-23(29-15-19)35-13-12-32-10-2-3-11-32/h4-9,14-15H,2-3,10-13,16-17H2,1H3
InChIKeyDFUHANZHFCZUGG-UHFFFAOYSA-N
MW516.52 g/mol
LogP4.16
Rot. Bonds9

About 5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole

5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole (PubChem CID 150023689) has the molecular formula C25H27F3N6O3 and a molecular weight of 516.52 g/mol. Its IUPAC name is 5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole
PubChem CID150023689
Molecular FormulaC25H27F3N6O3
Molecular Weight516.52 g/mol
Exact Mass516.21
IUPAC Name5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole
SMILESCc1cc(C2=NN(c3ccc(OC(F)(F)F)cc3)CO2)nn1Cc1ccc(OCCN2CCCC2)nc1
InChIInChI=1S/C25H27F3N6O3/c1-18-14-22(24-31-34(17-36-24)20-5-7-21(8-6-20)37-25(26,27)28)30-33(18)16-19-4-9-23(29-15-19)35-13-12-32-10-2-3-11-32/h4-9,14-15H,2-3,10-13,16-17H2,1H3
InChIKeyDFUHANZHFCZUGG-UHFFFAOYSA-N
XLogP4.16
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole
CID 150263999
2-iodo-5-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine
CID 174638283
N-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297202
5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 67960770
N-[2-(5-methylpyrazol-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine
CID 58538546
4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]aniline
CID 58561579
5-[5-methyl-1-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 58538583
5-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 87377335
[3-methyl-5-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]phenyl]methanol
CID 171674001
1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]piperidine
CID 11537339
2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine
CID 174650503
3-[4-(1,1-difluoroethoxy)phenyl]-5-[5-methyl-1-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
CID 90937430

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole?
The IUPAC name of 5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole (CID 150023689) is 5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole.
What is the SMILES notation for 5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole?
The canonical SMILES for 5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole is Cc1cc(C2=NN(c3ccc(OC(F)(F)F)cc3)CO2)nn1Cc1ccc(OCCN2CCCC2)nc1.
What is the InChIKey of 5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole?
The InChIKey is DFUHANZHFCZUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O3/c1-18-14-22(24-31-34(17-36-24)20-5-7-21(8-6-20)37-25(26,27)28)30-33(18)16-19-4-9-23(29-15-19)35-13-12-32-10-2-3-11-32/h4-9,14-15H,2-3,10-13,16-17H2,1H3.
What are the key properties of 5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole?
5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole has a molecular weight of 516.52 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-1-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole is sourced from PubChem (CID 150023689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).