[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine

C14H19BrN4 — CID 105200630

IUPAC[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2c(Br)cnn2C(C)C)c1
InChIInChI=1S/C14H19BrN4/c1-9(2)19-14(12(15)8-17-19)13(18-16)11-6-4-5-10(3)7-11/h4-9,13,18H,16H2,1-3H3
InChIKeyJIXLJXQRXOPCNN-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.09
Rot. Bonds4

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

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine (PubChem CID 105200630) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine
PubChem CID105200630
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2c(Br)cnn2C(C)C)c1
InChIInChI=1S/C14H19BrN4/c1-9(2)19-14(12(15)8-17-19)13(18-16)11-6-4-5-10(3)7-11/h4-9,13,18H,16H2,1-3H3
InChIKeyJIXLJXQRXOPCNN-UHFFFAOYSA-N
XLogP3.09
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.09
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

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105337018
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191592
[(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)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105336954
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237087
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105336978
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-iodophenyl)methyl]ethanamine
CID 105042306
[(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105337035
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105217795
N-[(3-bromo-4-methylphenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105042122
N-[(3-bromo-5-methylphenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105042012

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine (CID 105200630) is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine is Cc1cccc(C(NN)c2c(Br)cnn2C(C)C)c1.
What is the InChIKey of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine?
The InChIKey is JIXLJXQRXOPCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-9(2)19-14(12(15)8-17-19)13(18-16)11-6-4-5-10(3)7-11/h4-9,13,18H,16H2,1-3H3.
What are the key properties of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine?
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine has a molecular weight of 323.24 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105200630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).