[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine

C13H18BrN5 — CID 105336954

IUPAC[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2c(Br)cnn2C(C)C)cn1
InChIInChI=1S/C13H18BrN5/c1-8(2)19-13(11(14)7-17-19)12(18-15)10-5-4-9(3)16-6-10/h4-8,12,18H,15H2,1-3H3
InChIKeyIINNVEXAVCRCSC-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.48
Rot. Bonds4

About [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine (PubChem CID 105336954) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
PubChem CID105336954
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2c(Br)cnn2C(C)C)cn1
InChIInChI=1S/C13H18BrN5/c1-8(2)19-13(11(14)7-17-19)12(18-15)10-5-4-9(3)16-6-10/h4-8,12,18H,15H2,1-3H3
InChIKeyIINNVEXAVCRCSC-UHFFFAOYSA-N
XLogP2.48
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.48
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-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105342125
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105183873
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105337018
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105257041
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200630
[(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105337024
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine
CID 105220898
[(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-methoxyphenyl)methyl]hydrazine
CID 105191592
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
CID 102805215
[(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

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine (CID 105336954) is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine is Cc1ccc(C(NN)c2c(Br)cnn2C(C)C)cn1.
What is the InChIKey of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine?
The InChIKey is IINNVEXAVCRCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-8(2)19-13(11(14)7-17-19)12(18-15)10-5-4-9(3)16-6-10/h4-8,12,18H,15H2,1-3H3.
What are the key properties of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine?
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine has a molecular weight of 324.23 g/mol, XLogP of 2.48, 4 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)-(6-methyl-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105336954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).