[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine

C14H19BrN4 — CID 105288475

IUPAC[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2cc(C)cc(Br)c2)cn1
InChIInChI=1S/C14H19BrN4/c1-3-4-19-9-12(8-17-19)14(18-16)11-5-10(2)6-13(15)7-11/h5-9,14,18H,3-4,16H2,1-2H3
InChIKeyJYZYVJDFMPSNHU-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.92
Rot. Bonds5

About [(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine

[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105288475) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is [(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
PubChem CID105288475
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2cc(C)cc(Br)c2)cn1
InChIInChI=1S/C14H19BrN4/c1-3-4-19-9-12(8-17-19)14(18-16)11-5-10(2)6-13(15)7-11/h5-9,14,18H,3-4,16H2,1-2H3
InChIKeyJYZYVJDFMPSNHU-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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-(3,5-dibromophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107973896
[(4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105194305
[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208089
4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline
CID 105263459
[(2,5-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288509
[(1-propylpyrazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196444
[(3,5-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228493
[(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105222098
1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808288
[2,3-dihydro-1H-inden-5-yl-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288546
[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288605
[(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105197955

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine (CID 105288475) is [(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine is CCCn1cc(C(NN)c2cc(C)cc(Br)c2)cn1.
What is the InChIKey of [(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is JYZYVJDFMPSNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-3-4-19-9-12(8-17-19)14(18-16)11-5-10(2)6-13(15)7-11/h5-9,14,18H,3-4,16H2,1-2H3.
What are the key properties of [(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 323.24 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105288475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).