(4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone

C15H10BrFN2O3 — CID 1222676

IUPAC(4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
SMILESO=C(c1ccc(COc2ccc(F)cc2)o1)n1cc(Br)cn1
InChIInChI=1S/C15H10BrFN2O3/c16-10-7-18-19(8-10)15(20)14-6-5-13(22-14)9-21-12-3-1-11(17)2-4-12/h1-8H,9H2
InChIKeyLMDCNZJFAGLUFN-UHFFFAOYSA-N
MW365.16 g/mol
LogP3.65
Rot. Bonds4

About (4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone

(4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone (PubChem CID 1222676) has the molecular formula C15H10BrFN2O3 and a molecular weight of 365.16 g/mol. Its IUPAC name is (4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name(4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
PubChem CID1222676
Molecular FormulaC15H10BrFN2O3
Molecular Weight365.16 g/mol
Exact Mass363.99
IUPAC Name(4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
SMILESO=C(c1ccc(COc2ccc(F)cc2)o1)n1cc(Br)cn1
InChIInChI=1S/C15H10BrFN2O3/c16-10-7-18-19(8-10)15(20)14-6-5-13(22-14)9-21-12-3-1-11(17)2-4-12/h1-8H,9H2
InChIKeyLMDCNZJFAGLUFN-UHFFFAOYSA-N
XLogP3.65
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.16
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of (4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone (CID 1222676) is (4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for (4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for (4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone is O=C(c1ccc(COc2ccc(F)cc2)o1)n1cc(Br)cn1.
What is the InChIKey of (4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
The InChIKey is LMDCNZJFAGLUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O3/c16-10-7-18-19(8-10)15(20)14-6-5-13(22-14)9-21-12-3-1-11(17)2-4-12/h1-8H,9H2.
What are the key properties of (4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone?
(4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone has a molecular weight of 365.16 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopyrazol-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 1222676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).