(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone

C11H9BrFN3O — CID 114642162

IUPAC(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Br)c1C(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H9BrFN3O/c1-16-10(8(12)5-15-16)11(17)7-4-6(13)2-3-9(7)14/h2-5H,14H2,1H3
InChIKeyJTIBLWRXBZEOQU-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.13
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone

(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone (PubChem CID 114642162) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
PubChem CID114642162
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Br)c1C(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H9BrFN3O/c1-16-10(8(12)5-15-16)11(17)7-4-6(13)2-3-9(7)14/h2-5H,14H2,1H3
InChIKeyJTIBLWRXBZEOQU-UHFFFAOYSA-N
XLogP2.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114669784
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115815019
(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone
CID 114641496
(2-amino-5-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103130515
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
(4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone
CID 115814983
(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877543
(5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114670896
(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
CID 13408104
(2-amino-5-methoxyphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114670773
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone (CID 114642162) is (2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone is Cn1ncc(Br)c1C(=O)c1cc(F)ccc1N.
What is the InChIKey of (2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
The InChIKey is JTIBLWRXBZEOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-16-10(8(12)5-15-16)11(17)7-4-6(13)2-3-9(7)14/h2-5H,14H2,1H3.
What are the key properties of (2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone has a molecular weight of 298.12 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 114642162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).