(5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone

C10H7BrFN3O — CID 106644828

IUPAC(5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone
SMILESNc1[nH]ncc1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C10H7BrFN3O/c11-7-3-1-2-5(8(7)12)9(16)6-4-14-15-10(6)13/h1-4H,(H3,13,14,15)
InChIKeyPHKUBZAQOHKNEY-UHFFFAOYSA-N
MW284.09 g/mol
LogP2.12
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone

(5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone (PubChem CID 106644828) has the molecular formula C10H7BrFN3O and a molecular weight of 284.09 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone
PubChem CID106644828
Molecular FormulaC10H7BrFN3O
Molecular Weight284.09 g/mol
Exact Mass282.98
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone
SMILESNc1[nH]ncc1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C10H7BrFN3O/c11-7-3-1-2-5(8(7)12)9(16)6-4-14-15-10(6)13/h1-4H,(H3,13,14,15)
InChIKeyPHKUBZAQOHKNEY-UHFFFAOYSA-N
XLogP2.12
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)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

(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone
CID 106647263
(3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 107949876
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
CID 106647496
(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550
(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone
CID 106644923
3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 106547271
(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone
CID 106647314
(3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone
CID 106647447
(5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 82770548
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466
(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone
CID 106647329

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone (CID 106644828) is (5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone is Nc1[nH]ncc1C(=O)c1cccc(Br)c1F.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone?
The InChIKey is PHKUBZAQOHKNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3O/c11-7-3-1-2-5(8(7)12)9(16)6-4-14-15-10(6)13/h1-4H,(H3,13,14,15).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone?
(5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone has a molecular weight of 284.09 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 106644828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).