[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine

C14H19BrN4 — CID 105342210

IUPAC[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine
SMILESCCC(c1ccccc1)C(NN)c1c(Br)cnn1C
InChIInChI=1S/C14H19BrN4/c1-3-11(10-7-5-4-6-8-10)13(18-16)14-12(15)9-17-19(14)2/h4-9,11,13,18H,3,16H2,1-2H3
InChIKeyPFSVELROBNZOFO-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.88
Rot. Bonds5

About [1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine

[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine (PubChem CID 105342210) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is [1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine
PubChem CID105342210
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine
SMILESCCC(c1ccccc1)C(NN)c1c(Br)cnn1C
InChIInChI=1S/C14H19BrN4/c1-3-11(10-7-5-4-6-8-10)13(18-16)14-12(15)9-17-19(14)2/h4-9,11,13,18H,3,16H2,1-2H3
InChIKeyPFSVELROBNZOFO-UHFFFAOYSA-N
XLogP2.88
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.88
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-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105054099
[1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336660
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336192
[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105342070
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105042151
[1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine
CID 105246443
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethyl]hydrazine
CID 105279178
[1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxypentyl]hydrazine
CID 105271805
[(4-bromo-1-methylpyrazol-5-yl)-pyridin-3-ylmethyl]hydrazine
CID 105196230
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105047114
[(4-bromo-1-methylpyrazol-5-yl)-(4-bromophenyl)methyl]hydrazine
CID 105192475

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine (CID 105342210) is [1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine is CCC(c1ccccc1)C(NN)c1c(Br)cnn1C.
What is the InChIKey of [1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine?
The InChIKey is PFSVELROBNZOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-3-11(10-7-5-4-6-8-10)13(18-16)14-12(15)9-17-19(14)2/h4-9,11,13,18H,3,16H2,1-2H3.
What are the key properties of [1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine?
[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine has a molecular weight of 323.24 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine is sourced from PubChem (CID 105342210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).