[1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine

C15H22BrN5 — CID 105334822

IUPAC[1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
SMILESCc1nn(C)c(C)c1CCC(Cc1cncc(Br)c1)NN
InChIInChI=1S/C15H22BrN5/c1-10-15(11(2)21(3)20-10)5-4-14(19-17)7-12-6-13(16)9-18-8-12/h6,8-9,14,19H,4-5,7,17H2,1-3H3
InChIKeyXZKUJLPTXSRQFW-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.20
Rot. Bonds6

About [1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine

[1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine (PubChem CID 105334822) has the molecular formula C15H22BrN5 and a molecular weight of 352.28 g/mol. Its IUPAC name is [1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
PubChem CID105334822
Molecular FormulaC15H22BrN5
Molecular Weight352.28 g/mol
Exact Mass351.11
IUPAC Name[1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
SMILESCc1nn(C)c(C)c1CCC(Cc1cncc(Br)c1)NN
InChIInChI=1S/C15H22BrN5/c1-10-15(11(2)21(3)20-10)5-4-14(19-17)7-12-6-13(16)9-18-8-12/h6,8-9,14,19H,4-5,7,17H2,1-3H3
InChIKeyXZKUJLPTXSRQFW-UHFFFAOYSA-N
XLogP2.20
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.20
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

[1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105310364
1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105243945
1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
CID 105293836
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
[1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105296462
[2-(5-bromo-3-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105334796
[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine
CID 105334758
3-(5-bromo-3-pyridinyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244614
1-(4-bromothiophen-2-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105139256
[1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105288178

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine (CID 105334822) is [1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine is Cc1nn(C)c(C)c1CCC(Cc1cncc(Br)c1)NN.
What is the InChIKey of [1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine?
The InChIKey is XZKUJLPTXSRQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5/c1-10-15(11(2)21(3)20-10)5-4-14(19-17)7-12-6-13(16)9-18-8-12/h6,8-9,14,19H,4-5,7,17H2,1-3H3.
What are the key properties of [1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine?
[1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine has a molecular weight of 352.28 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105334822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).