[2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine

C12H16BrN5 — CID 105334796

IUPAC[2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
SMILESCc1cc(C(Cc2cncc(Br)c2)NN)n(C)n1
InChIInChI=1S/C12H16BrN5/c1-8-3-12(18(2)17-8)11(16-14)5-9-4-10(13)7-15-6-9/h3-4,6-7,11,16H,5,14H2,1-2H3
InChIKeyMRCMWNKERUZNLW-UHFFFAOYSA-N
MW310.20 g/mol
LogP1.63
Rot. Bonds4

About [2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine

[2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105334796) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is [2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105334796
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name[2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
SMILESCc1cc(C(Cc2cncc(Br)c2)NN)n(C)n1
InChIInChI=1S/C12H16BrN5/c1-8-3-12(18(2)17-8)11(16-14)5-9-4-10(13)7-15-6-9/h3-4,6-7,11,16H,5,14H2,1-2H3
InChIKeyMRCMWNKERUZNLW-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-(5-bromo-3-pyridinyl)-1-(4,6-dimethyl-2-pyridinyl)ethyl]hydrazine
CID 114269558
[2-(5-bromo-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine
CID 105334711
[1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105334822
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
[2-(5-bromo-3-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethyl]hydrazine
CID 105334852
[1-(5-bromofuran-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105334847
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105316011
[2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
CID 105334802
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
[1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313929
[2-cyclopentyl-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105299111
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine (CID 105334796) is [2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine is Cc1cc(C(Cc2cncc(Br)c2)NN)n(C)n1.
What is the InChIKey of [2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is MRCMWNKERUZNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-8-3-12(18(2)17-8)11(16-14)5-9-4-10(13)7-15-6-9/h3-4,6-7,11,16H,5,14H2,1-2H3.
What are the key properties of [2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine?
[2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]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-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105334796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).