3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine

C12H18BrN3 — CID 79880296

IUPAC3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine
SMILESCCn1nc(C)c(Br)c1C=C1CCCNC1
InChIInChI=1S/C12H18BrN3/c1-3-16-11(12(13)9(2)15-16)7-10-5-4-6-14-8-10/h7,14H,3-6,8H2,1-2H3
InChIKeyJXRSPGNRYNJBBE-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.74
Rot. Bonds2

About 3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine

3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine (PubChem CID 79880296) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine.

Molecular Properties

Compound Name3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine
PubChem CID79880296
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine
SMILESCCn1nc(C)c(Br)c1C=C1CCCNC1
InChIInChI=1S/C12H18BrN3/c1-3-16-11(12(13)9(2)15-16)7-10-5-4-6-14-8-10/h7,14H,3-6,8H2,1-2H3
InChIKeyJXRSPGNRYNJBBE-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine 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

(3E)-3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylidene]piperidine
CID 134081391
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]cyclohexan-1-amine
CID 79880458
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine
CID 79880289
1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole
CID 79879494
(4Z)-4-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]azepane
CID 103983725
3-propylidenepiperidine
CID 66869836
(3E)-3-ethylidenepiperidine
CID 55298742
3-bromo-1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 105487454
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-piperidin-4-ylethanol
CID 80560441
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-one
CID 114451689
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569367
ethyl 3-[3-(piperidin-3-ylidenemethyl)pyrazol-1-yl]propanoate
CID 141119346

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine?
The IUPAC name of 3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine (CID 79880296) is 3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine.
What is the SMILES notation for 3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine?
The canonical SMILES for 3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine is CCn1nc(C)c(Br)c1C=C1CCCNC1.
What is the InChIKey of 3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine?
The InChIKey is JXRSPGNRYNJBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-3-16-11(12(13)9(2)15-16)7-10-5-4-6-14-8-10/h7,14H,3-6,8H2,1-2H3.
What are the key properties of 3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine?
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine has a molecular weight of 284.20 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine is sourced from PubChem (CID 79880296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).