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

C19H20F4N4O2 — CID 143299568

IUPAC3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole
SMILESCCn1nc(Oc2cc(F)cc(CCOc3cc(C)nn3C)c2)cc1C(F)(F)F
InChIInChI=1S/C19H20F4N4O2/c1-4-27-16(19(21,22)23)11-17(25-27)29-15-9-13(8-14(20)10-15)5-6-28-18-7-12(2)24-26(18)3/h7-11H,4-6H2,1-3H3
InChIKeyKVNSMNZZJRAPOC-UHFFFAOYSA-N
MW412.39 g/mol
LogP4.52
Rot. Bonds7

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

3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole (PubChem CID 143299568) has the molecular formula C19H20F4N4O2 and a molecular weight of 412.39 g/mol. Its IUPAC name is 3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole
PubChem CID143299568
Molecular FormulaC19H20F4N4O2
Molecular Weight412.39 g/mol
Exact Mass412.15
IUPAC Name3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole
SMILESCCn1nc(Oc2cc(F)cc(CCOc3cc(C)nn3C)c2)cc1C(F)(F)F
InChIInChI=1S/C19H20F4N4O2/c1-4-27-16(19(21,22)23)11-17(25-27)29-15-9-13(8-14(20)10-15)5-6-28-18-7-12(2)24-26(18)3/h7-11H,4-6H2,1-3H3
InChIKeyKVNSMNZZJRAPOC-UHFFFAOYSA-N
XLogP4.52
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2,5-dimethylpyrazol-3-yl)oxy-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole
CID 162604321
6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine
CID 81345938
N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine
CID 81346395
5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 42640735
4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine
CID 154403788
1-ethyl-5-fluoro-3-methylpyrazole
CID 119056206
1-fluoro-3-propyl-5-(trifluoromethoxy)benzene
CID 142581036
4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine
CID 81345697
2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine
CID 105351178
5-(3-bromo-5-fluorophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 81322300
[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003622
2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
CID 106533557

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole (CID 143299568) is 3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole is CCn1nc(Oc2cc(F)cc(CCOc3cc(C)nn3C)c2)cc1C(F)(F)F.
What is the InChIKey of 3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole?
The InChIKey is KVNSMNZZJRAPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O2/c1-4-27-16(19(21,22)23)11-17(25-27)29-15-9-13(8-14(20)10-15)5-6-28-18-7-12(2)24-26(18)3/h7-11H,4-6H2,1-3H3.
What are the key properties of 3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole?
3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole has a molecular weight of 412.39 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]-5-fluorophenoxy]-1-ethyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 143299568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).