5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine

C12H12F3N3O — CID 141330175

IUPAC5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine
SMILESCC(OCC(F)(F)F)c1ccc(-c2ccn[nH]2)cn1
InChIInChI=1S/C12H12F3N3O/c1-8(19-7-12(13,14)15)10-3-2-9(6-16-10)11-4-5-17-18-11/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyDULGTTFUNOVDFQ-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.11
Rot. Bonds4

About 5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine

5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine (PubChem CID 141330175) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine.

Molecular Properties

Compound Name5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine
PubChem CID141330175
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine
SMILESCC(OCC(F)(F)F)c1ccc(-c2ccn[nH]2)cn1
InChIInChI=1S/C12H12F3N3O/c1-8(19-7-12(13,14)15)10-3-2-9(6-16-10)11-4-5-17-18-11/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyDULGTTFUNOVDFQ-UHFFFAOYSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine?
The IUPAC name of 5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine (CID 141330175) is 5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine.
What is the SMILES notation for 5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine?
The canonical SMILES for 5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine is CC(OCC(F)(F)F)c1ccc(-c2ccn[nH]2)cn1.
What is the InChIKey of 5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine?
The InChIKey is DULGTTFUNOVDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-8(19-7-12(13,14)15)10-3-2-9(6-16-10)11-4-5-17-18-11/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine?
5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine has a molecular weight of 271.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-yl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]pyridine is sourced from PubChem (CID 141330175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).