[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine

C16H23BrN4 — CID 105211273

IUPAC[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(Cc1ccc(C)cc1)NN
InChIInChI=1S/C16H23BrN4/c1-4-21-15(16(17)12(3)20-21)10-14(19-18)9-13-7-5-11(2)6-8-13/h5-8,14,19H,4,9-10,18H2,1-3H3
InChIKeyUGTQDKCADVMQHK-UHFFFAOYSA-N
MW351.29 g/mol
LogP2.90
Rot. Bonds6

About [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine

[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine (PubChem CID 105211273) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine
PubChem CID105211273
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC Name[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(Cc1ccc(C)cc1)NN
InChIInChI=1S/C16H23BrN4/c1-4-21-15(16(17)12(3)20-21)10-14(19-18)9-13-7-5-11(2)6-8-13/h5-8,14,19H,4,9-10,18H2,1-3H3
InChIKeyUGTQDKCADVMQHK-UHFFFAOYSA-N
XLogP2.90
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206281
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195516
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine
CID 114033184
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212505
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
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[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105316689
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethyl]hydrazine
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2-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydrazinylethyl]aniline
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2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine
CID 104998312
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
CID 105316719
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105159659
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-pyridin-3-ylpropan-2-yl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine (CID 105211273) is [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine is CCn1nc(C)c(Br)c1CC(Cc1ccc(C)cc1)NN.
What is the InChIKey of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine?
The InChIKey is UGTQDKCADVMQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-4-21-15(16(17)12(3)20-21)10-14(19-18)9-13-7-5-11(2)6-8-13/h5-8,14,19H,4,9-10,18H2,1-3H3.
What are the key properties of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine?
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine has a molecular weight of 351.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105211273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).