1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone

C14H16BrN3O — CID 113398236

IUPAC1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ncccc2Br)n(CC)n1
InChIInChI=1S/C14H16BrN3O/c1-3-10-8-11(18(4-2)17-10)9-13(19)14-12(15)6-5-7-16-14/h5-8H,3-4,9H2,1-2H3
InChIKeySIEUZERRNXAVTH-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.05
Rot. Bonds5

About 1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone

1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone (PubChem CID 113398236) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
PubChem CID113398236
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ncccc2Br)n(CC)n1
InChIInChI=1S/C14H16BrN3O/c1-3-10-8-11(18(4-2)17-10)9-13(19)14-12(15)6-5-7-16-14/h5-8H,3-4,9H2,1-2H3
InChIKeySIEUZERRNXAVTH-UHFFFAOYSA-N
XLogP3.05
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone 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

1-(4,5-dibromothiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 115778844
1-(3-bromo-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 115778986
1-(2-bromophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 66142679
1-(4-bromo-2-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 114905757
N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121397
2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115778740
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
1-(4-bromophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 66055470
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 79076883
1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373365
2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 116554232
2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115778768

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone (CID 113398236) is 1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone is CCc1cc(CC(=O)c2ncccc2Br)n(CC)n1.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
The InChIKey is SIEUZERRNXAVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-10-8-11(18(4-2)17-10)9-13(19)14-12(15)6-5-7-16-14/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone has a molecular weight of 322.21 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone is sourced from PubChem (CID 113398236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).