(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone

C11H9BrFN3O — CID 114641961

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1ccncc1F
InChIInChI=1S/C11H9BrFN3O/c1-2-16-10(8(12)5-15-16)11(17)7-3-4-14-6-9(7)13/h3-6H,2H2,1H3
InChIKeyMWTDPKGZNQCPIM-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.43
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone

(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone (PubChem CID 114641961) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone
PubChem CID114641961
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1ccncc1F
InChIInChI=1S/C11H9BrFN3O/c1-2-16-10(8(12)5-15-16)11(17)7-3-4-14-6-9(7)13/h3-6H,2H2,1H3
InChIKeyMWTDPKGZNQCPIM-UHFFFAOYSA-N
XLogP2.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 107996691
(4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 115803593
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methanone
CID 115803500
(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641960
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone
CID 105130247
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
CID 114641629
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114894379
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
(4-bromo-2-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114905769

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone (CID 114641961) is (4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone is CCn1ncc(Br)c1C(=O)c1ccncc1F.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is MWTDPKGZNQCPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-2-16-10(8(12)5-15-16)11(17)7-3-4-14-6-9(7)13/h3-6H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone?
(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 298.12 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 114641961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).