(4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C11H13BrF3N3O — CID 171384981

IUPAC(4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCn1cc(Br)c(C(=O)N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H13BrF3N3O/c1-17-6-8(12)9(16-17)10(19)18-4-2-3-7(5-18)11(13,14)15/h6-7H,2-5H2,1H3
InChIKeyBHAGDVRNBPKIBQ-UHFFFAOYSA-N
MW340.14 g/mol
LogP2.60
Rot. Bonds1

About (4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 171384981) has the molecular formula C11H13BrF3N3O and a molecular weight of 340.14 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID171384981
Molecular FormulaC11H13BrF3N3O
Molecular Weight340.14 g/mol
Exact Mass339.02
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCn1cc(Br)c(C(=O)N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H13BrF3N3O/c1-17-6-8(12)9(16-17)10(19)18-4-2-3-7(5-18)11(13,14)15/h6-7H,2-5H2,1H3
InChIKeyBHAGDVRNBPKIBQ-UHFFFAOYSA-N
XLogP2.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-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-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 844633
(3-bromo-5-fluoro-4-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 176513305
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
[3-(bromomethyl)azetidin-1-yl]-(4-bromo-1-methylpyrazol-3-yl)methanone
CID 164646845
(4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 559877
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103841477
(4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 65356023
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 43046940
(4-iodo-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 903337
(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129367196
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 171384981) is (4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cn1cc(Br)c(C(=O)N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is BHAGDVRNBPKIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3O/c1-17-6-8(12)9(16-17)10(19)18-4-2-3-7(5-18)11(13,14)15/h6-7H,2-5H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 340.14 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 171384981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).