(4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone

C10H6BrFN2O — CID 904022

IUPAC(4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)n1cc(Br)cn1
InChIInChI=1S/C10H6BrFN2O/c11-8-5-13-14(6-8)10(15)7-2-1-3-9(12)4-7/h1-6H
InChIKeyKYUIBXCBHGMRIA-UHFFFAOYSA-N
MW269.07 g/mol
LogP2.47
Rot. Bonds1

About (4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone

(4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone (PubChem CID 904022) has the molecular formula C10H6BrFN2O and a molecular weight of 269.07 g/mol. Its IUPAC name is (4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone
PubChem CID904022
Molecular FormulaC10H6BrFN2O
Molecular Weight269.07 g/mol
Exact Mass267.96
IUPAC Name(4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)n1cc(Br)cn1
InChIInChI=1S/C10H6BrFN2O/c11-8-5-13-14(6-8)10(15)7-2-1-3-9(12)4-7/h1-6H
InChIKeyKYUIBXCBHGMRIA-UHFFFAOYSA-N
XLogP2.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone (CID 904022) is (4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)n1cc(Br)cn1.
What is the InChIKey of (4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone?
The InChIKey is KYUIBXCBHGMRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O/c11-8-5-13-14(6-8)10(15)7-2-1-3-9(12)4-7/h1-6H.
What are the key properties of (4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone?
(4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone has a molecular weight of 269.07 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 904022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).