[(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine

C14H19BrN4 — CID 105306921

IUPAC[(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
SMILESCCCn1nccc1C(NN)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H19BrN4/c1-3-8-19-13(6-7-17-19)14(18-16)11-4-5-12(15)10(2)9-11/h4-7,9,14,18H,3,8,16H2,1-2H3
InChIKeyWVPGQHKJPRVXJJ-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.92
Rot. Bonds5

About [(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine

[(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine (PubChem CID 105306921) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is [(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
PubChem CID105306921
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name[(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
SMILESCCCn1nccc1C(NN)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H19BrN4/c1-3-8-19-13(6-7-17-19)14(18-16)11-4-5-12(15)10(2)9-11/h4-7,9,14,18H,3,8,16H2,1-2H3
InChIKeyWVPGQHKJPRVXJJ-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

[(2-methyl-4-pyridinyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 106756554
[(4-ethylsulfanylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 106850622
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 114330568
[(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307040
[(4-bromo-1-propylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105336612
[(3-methyl-2-pyridinyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105209144
1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857773
[(5-bromo-2-pyridinyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105267665
(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375
N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115857967
2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline
CID 105223752
N-[(4,5-dibromothiophen-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857741

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine (CID 105306921) is [(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine is CCCn1nccc1C(NN)c1ccc(Br)c(C)c1.
What is the InChIKey of [(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is WVPGQHKJPRVXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-3-8-19-13(6-7-17-19)14(18-16)11-4-5-12(15)10(2)9-11/h4-7,9,14,18H,3,8,16H2,1-2H3.
What are the key properties of [(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
[(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-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 [(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 105306921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).