3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole

C17H16F4N4O2 — CID 162604321

IUPAC3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole
SMILESCCn1nc(Oc2cc(F)cc(Oc3cc(C)nn3C)c2)cc1C(F)(F)F
InChIInChI=1S/C17H16F4N4O2/c1-4-25-14(17(19,20)21)9-15(23-25)26-12-6-11(18)7-13(8-12)27-16-5-10(2)22-24(16)3/h5-9H,4H2,1-3H3
InChIKeyNNLISPZJSBVYEO-UHFFFAOYSA-N
MW384.33 g/mol
LogP4.69
Rot. Bonds5

About 3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole

3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole (PubChem CID 162604321) has the molecular formula C17H16F4N4O2 and a molecular weight of 384.33 g/mol. Its IUPAC name is 3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole
PubChem CID162604321
Molecular FormulaC17H16F4N4O2
Molecular Weight384.33 g/mol
Exact Mass384.12
IUPAC Name3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole
SMILESCCn1nc(Oc2cc(F)cc(Oc3cc(C)nn3C)c2)cc1C(F)(F)F
InChIInChI=1S/C17H16F4N4O2/c1-4-25-14(17(19,20)21)9-15(23-25)26-12-6-11(18)7-13(8-12)27-16-5-10(2)22-24(16)3/h5-9H,4H2,1-3H3
InChIKeyNNLISPZJSBVYEO-UHFFFAOYSA-N
XLogP4.69
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole
CID 143299568
4-(2,5-dimethylpyrazol-3-yl)oxybenzonitrile
CID 81346146
1-ethyl-5-fluoro-3-methylpyrazole
CID 119056206
4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81346371
4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine
CID 154403788
1-ethyl-3-nitro-5-(trifluoromethyl)pyrazole
CID 25247795
5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carbothioamide
CID 113321067
4-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81346868
5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 42640735
4-(2,5-dimethylpyrazol-3-yl)oxy-2-methylbenzonitrile
CID 81346145
2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine
CID 81346004
ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate
CID 81333635

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole (CID 162604321) is 3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole is CCn1nc(Oc2cc(F)cc(Oc3cc(C)nn3C)c2)cc1C(F)(F)F.
What is the InChIKey of 3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole?
The InChIKey is NNLISPZJSBVYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O2/c1-4-25-14(17(19,20)21)9-15(23-25)26-12-6-11(18)7-13(8-12)27-16-5-10(2)22-24(16)3/h5-9H,4H2,1-3H3.
What are the key properties of 3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole?
3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole has a molecular weight of 384.33 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 162604321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).