(5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone

C19H17BrFN3O2 — CID 71842302

IUPAC(5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCC(c2cnn(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H17BrFN3O2/c20-18-6-5-17(26-18)19(25)23-9-7-13(8-10-23)14-11-22-24(12-14)16-3-1-15(21)2-4-16/h1-6,11-13H,7-10H2
InChIKeyCXBPRBSAJZCTDJ-UHFFFAOYSA-N
MW418.27 g/mol
LogP4.39
Rot. Bonds3

About (5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone

(5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone (PubChem CID 71842302) has the molecular formula C19H17BrFN3O2 and a molecular weight of 418.27 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
PubChem CID71842302
Molecular FormulaC19H17BrFN3O2
Molecular Weight418.27 g/mol
Exact Mass417.05
IUPAC Name(5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCC(c2cnn(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H17BrFN3O2/c20-18-6-5-17(26-18)19(25)23-9-7-13(8-10-23)14-11-22-24(12-14)16-3-1-15(21)2-4-16/h1-6,11-13H,7-10H2
InChIKeyCXBPRBSAJZCTDJ-UHFFFAOYSA-N
XLogP4.39
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone (CID 71842302) is (5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCC(c2cnn(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is CXBPRBSAJZCTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O2/c20-18-6-5-17(26-18)19(25)23-9-7-13(8-10-23)14-11-22-24(12-14)16-3-1-15(21)2-4-16/h1-6,11-13H,7-10H2.
What are the key properties of (5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone has a molecular weight of 418.27 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71842302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).