[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine

C10H13BrN6 — CID 102924309

IUPAC[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)c1cncnc1
InChIInChI=1S/C10H13BrN6/c1-2-17-10(8(11)5-15-17)9(16-12)7-3-13-6-14-4-7/h3-6,9,16H,2,12H2,1H3
InChIKeySWROYZVSZJMQDX-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.01
Rot. Bonds4

About [(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine

[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine (PubChem CID 102924309) has the molecular formula C10H13BrN6 and a molecular weight of 297.16 g/mol. Its IUPAC name is [(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine
PubChem CID102924309
Molecular FormulaC10H13BrN6
Molecular Weight297.16 g/mol
Exact Mass296.04
IUPAC Name[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)c1cncnc1
InChIInChI=1S/C10H13BrN6/c1-2-17-10(8(11)5-15-17)9(16-12)7-3-13-6-14-4-7/h3-6,9,16H,2,12H2,1H3
InChIKeySWROYZVSZJMQDX-UHFFFAOYSA-N
XLogP1.01
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.01
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

2-[(4-bromo-1-ethylpyrazol-5-yl)-hydrazinylmethyl]aniline
CID 105223904
[(4-bromo-1-ethylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methyl]hydrazine
CID 105336201
[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine
CID 105336163
[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219437
[(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methyl]hydrazine
CID 105251541
[(4-bromo-1-ethylpyrazol-5-yl)-(5-chlorothiophen-2-yl)methyl]hydrazine
CID 105336143
[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336177
[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263858
[(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257897
[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105336237
[(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105336263
3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244143

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine?
The IUPAC name of [(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine (CID 102924309) is [(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine?
The canonical SMILES for [(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine is CCn1ncc(Br)c1C(NN)c1cncnc1.
What is the InChIKey of [(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine?
The InChIKey is SWROYZVSZJMQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN6/c1-2-17-10(8(11)5-15-17)9(16-12)7-3-13-6-14-4-7/h3-6,9,16H,2,12H2,1H3.
What are the key properties of [(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine?
[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine has a molecular weight of 297.16 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine is sourced from PubChem (CID 102924309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).