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

C14H19BrN4O — CID 105191592

IUPAC[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cccc(C(NN)c2c(Br)cnn2C(C)C)c1
InChIInChI=1S/C14H19BrN4O/c1-9(2)19-14(12(15)8-17-19)13(18-16)10-5-4-6-11(7-10)20-3/h4-9,13,18H,16H2,1-3H3
InChIKeyHCVNLWHFASJDBB-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.79
Rot. Bonds5

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

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine (PubChem CID 105191592) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
PubChem CID105191592
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cccc(C(NN)c2c(Br)cnn2C(C)C)c1
InChIInChI=1S/C14H19BrN4O/c1-9(2)19-14(12(15)8-17-19)13(18-16)10-5-4-6-11(7-10)20-3/h4-9,13,18H,16H2,1-3H3
InChIKeyHCVNLWHFASJDBB-UHFFFAOYSA-N
XLogP2.79
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylphenyl)methyl]hydrazine
CID 105200630
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105336978
[(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)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105337018
[(4-chloro-1-methylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191750
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105336954
[(2-bromophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105208659
[(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283642
[(5-bromo-2-pyridinyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105267769
[(3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105191567
[(1-ethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191655

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine (CID 105191592) is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine is COc1cccc(C(NN)c2c(Br)cnn2C(C)C)c1.
What is the InChIKey of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine?
The InChIKey is HCVNLWHFASJDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-9(2)19-14(12(15)8-17-19)13(18-16)10-5-4-6-11(7-10)20-3/h4-9,13,18H,16H2,1-3H3.
What are the key properties of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine?
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine has a molecular weight of 339.24 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105191592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).