4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline

C19H12F4N4 — CID 162760847

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline
SMILESCn1cc(-c2ccnc3cc(C(F)(F)F)ccc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C19H12F4N4/c1-27-10-15(18(26-27)16-5-3-12(20)9-25-16)13-6-7-24-17-8-11(19(21,22)23)2-4-14(13)17/h2-10H,1H3
InChIKeyIYBKYDQWMPVPSA-UHFFFAOYSA-N
MW372.33 g/mol
LogP4.86
Rot. Bonds2

About 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline

4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline (PubChem CID 162760847) has the molecular formula C19H12F4N4 and a molecular weight of 372.33 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline
PubChem CID162760847
Molecular FormulaC19H12F4N4
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline
SMILESCn1cc(-c2ccnc3cc(C(F)(F)F)ccc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C19H12F4N4/c1-27-10-15(18(26-27)16-5-3-12(20)9-25-16)13-6-7-24-17-8-11(19(21,22)23)2-4-14(13)17/h2-10H,1H3
InChIKeyIYBKYDQWMPVPSA-UHFFFAOYSA-N
XLogP4.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline (CID 162760847) is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline is Cn1cc(-c2ccnc3cc(C(F)(F)F)ccc23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline?
The InChIKey is IYBKYDQWMPVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4/c1-27-10-15(18(26-27)16-5-3-12(20)9-25-16)13-6-7-24-17-8-11(19(21,22)23)2-4-14(13)17/h2-10H,1H3.
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline?
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline has a molecular weight of 372.33 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 162760847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).