(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone

C10H7BrFN3O — CID 114641496

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone
SMILESCn1ncc(Br)c1C(=O)c1ccc(F)cn1
InChIInChI=1S/C10H7BrFN3O/c1-15-9(7(11)5-14-15)10(16)8-3-2-6(12)4-13-8/h2-5H,1H3
InChIKeySSNBMUDYFPEVRP-UHFFFAOYSA-N
MW284.09 g/mol
LogP1.95
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone

(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone (PubChem CID 114641496) has the molecular formula C10H7BrFN3O and a molecular weight of 284.09 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone
PubChem CID114641496
Molecular FormulaC10H7BrFN3O
Molecular Weight284.09 g/mol
Exact Mass282.98
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone
SMILESCn1ncc(Br)c1C(=O)c1ccc(F)cn1
InChIInChI=1S/C10H7BrFN3O/c1-15-9(7(11)5-14-15)10(16)8-3-2-6(12)4-13-8/h2-5H,1H3
InChIKeySSNBMUDYFPEVRP-UHFFFAOYSA-N
XLogP1.95
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114670896
(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114641498
(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114642162
(4-bromo-1-methylpyrazol-5-yl)-(2H-triazol-4-yl)methanone
CID 114641783
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115815019
(4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114669784
(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone
CID 105135299
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-fluoro-2-pyridinyl)methanone
CID 114641499
1-(4-bromo-1-methylpyrazol-5-yl)-2-(methylamino)propan-1-one
CID 114668964
(4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone
CID 115814983
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
CID 114641629

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone (CID 114641496) is (4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone is Cn1ncc(Br)c1C(=O)c1ccc(F)cn1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is SSNBMUDYFPEVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3O/c1-15-9(7(11)5-14-15)10(16)8-3-2-6(12)4-13-8/h2-5H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone?
(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 284.09 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 114641496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).