7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline

C14H12FN3 — CID 141434560

IUPAC7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline
SMILESCc1cc(-c2cc3ncccc3cc2F)n(C)n1
InChIInChI=1S/C14H12FN3/c1-9-6-14(18(2)17-9)11-8-13-10(7-12(11)15)4-3-5-16-13/h3-8H,1-2H3
InChIKeyRWVKPRNTZRNHFS-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.08
Rot. Bonds1

About 7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline

7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline (PubChem CID 141434560) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline.

Molecular Properties

Compound Name7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline
PubChem CID141434560
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline
SMILESCc1cc(-c2cc3ncccc3cc2F)n(C)n1
InChIInChI=1S/C14H12FN3/c1-9-6-14(18(2)17-9)11-8-13-10(7-12(11)15)4-3-5-16-13/h3-8H,1-2H3
InChIKeyRWVKPRNTZRNHFS-UHFFFAOYSA-N
XLogP3.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline?
The IUPAC name of 7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline (CID 141434560) is 7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline.
What is the SMILES notation for 7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline?
The canonical SMILES for 7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline is Cc1cc(-c2cc3ncccc3cc2F)n(C)n1.
What is the InChIKey of 7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline?
The InChIKey is RWVKPRNTZRNHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-9-6-14(18(2)17-9)11-8-13-10(7-12(11)15)4-3-5-16-13/h3-8H,1-2H3.
What are the key properties of 7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline?
7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline has a molecular weight of 241.27 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethylpyrazol-3-yl)-6-fluoroquinoline is sourced from PubChem (CID 141434560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).