[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine

C12H16BrN5 — CID 105196448

IUPAC[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2ccncc2)c1Br
InChIInChI=1S/C12H16BrN5/c1-8-12(13)11(18(2)17-8)7-10(16-14)9-3-5-15-6-4-9/h3-6,10,16H,7,14H2,1-2H3
InChIKeyIKOLBJUQRJTFBV-UHFFFAOYSA-N
MW310.20 g/mol
LogP1.63
Rot. Bonds4

About [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine

[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine (PubChem CID 105196448) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
PubChem CID105196448
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2ccncc2)c1Br
InChIInChI=1S/C12H16BrN5/c1-8-12(13)11(18(2)17-8)7-10(16-14)9-3-5-15-6-4-9/h3-6,10,16H,7,14H2,1-2H3
InChIKeyIKOLBJUQRJTFBV-UHFFFAOYSA-N
XLogP1.63
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine
CID 105317885
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethyl]hydrazine
CID 107986094
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
CID 105317823
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105317802
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194397
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222450
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethyl]hydrazine
CID 107103733
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105317811
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105217846
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129772
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196368
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195516

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine?
The IUPAC name of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine (CID 105196448) is [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine is Cc1nn(C)c(CC(NN)c2ccncc2)c1Br.
What is the InChIKey of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine?
The InChIKey is IKOLBJUQRJTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-8-12(13)11(18(2)17-8)7-10(16-14)9-3-5-15-6-4-9/h3-6,10,16H,7,14H2,1-2H3.
What are the key properties of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine?
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine has a molecular weight of 310.20 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine is sourced from PubChem (CID 105196448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).