[(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine

C11H15BrN6 — CID 105220898

IUPAC[(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine
SMILESCC(C)n1ncc(Br)c1C(NN)c1ccncn1
InChIInChI=1S/C11H15BrN6/c1-7(2)18-11(8(12)5-16-18)10(17-13)9-3-4-14-6-15-9/h3-7,10,17H,13H2,1-2H3
InChIKeyKJRTZBCYDURUDK-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.57
Rot. Bonds4

About [(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine (PubChem CID 105220898) has the molecular formula C11H15BrN6 and a molecular weight of 311.19 g/mol. Its IUPAC name is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine
PubChem CID105220898
Molecular FormulaC11H15BrN6
Molecular Weight311.19 g/mol
Exact Mass310.05
IUPAC Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine
SMILESCC(C)n1ncc(Br)c1C(NN)c1ccncn1
InChIInChI=1S/C11H15BrN6/c1-7(2)18-11(8(12)5-16-18)10(17-13)9-3-4-14-6-15-9/h3-7,10,17H,13H2,1-2H3
InChIKeyKJRTZBCYDURUDK-UHFFFAOYSA-N
XLogP1.57
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105336954
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105337018
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105257041
[(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105337024
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200630
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105217795
[pyrimidin-4-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105220929
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
CID 102805215
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105336990
[(2-methylpyrazol-3-yl)-pyrimidin-4-ylmethyl]hydrazine
CID 105220886
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191592
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105336938

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine?
The IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine (CID 105220898) is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine is CC(C)n1ncc(Br)c1C(NN)c1ccncn1.
What is the InChIKey of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine?
The InChIKey is KJRTZBCYDURUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN6/c1-7(2)18-11(8(12)5-16-18)10(17-13)9-3-4-14-6-15-9/h3-7,10,17H,13H2,1-2H3.
What are the key properties of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine?
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine has a molecular weight of 311.19 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine is sourced from PubChem (CID 105220898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).