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

C12H19BrN6 — CID 102805215

IUPAC[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1nn(C)cc1C(NN)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H19BrN6/c1-7(2)19-12(10(13)5-15-19)11(16-14)9-6-18(4)17-8(9)3/h5-7,11,16H,14H2,1-4H3
InChIKeySAAGFZSEEIKGPP-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.82
Rot. Bonds4

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

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine (PubChem CID 102805215) has the molecular formula C12H19BrN6 and a molecular weight of 327.23 g/mol. Its IUPAC name is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
PubChem CID102805215
Molecular FormulaC12H19BrN6
Molecular Weight327.23 g/mol
Exact Mass326.09
IUPAC Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1nn(C)cc1C(NN)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H19BrN6/c1-7(2)19-12(10(13)5-15-19)11(16-14)9-6-18(4)17-8(9)3/h5-7,11,16H,14H2,1-4H3
InChIKeySAAGFZSEEIKGPP-UHFFFAOYSA-N
XLogP1.82
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105337018
[(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-2,5-difluorophenyl)methyl]hydrazine
CID 105337011
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105336954
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]hydrazine
CID 107970606
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200630
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105336938
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105217795
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine
CID 105220898
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105257041
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105336990

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine (CID 102805215) is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine is Cc1nn(C)cc1C(NN)c1c(Br)cnn1C(C)C.
What is the InChIKey of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is SAAGFZSEEIKGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN6/c1-7(2)19-12(10(13)5-15-19)11(16-14)9-6-18(4)17-8(9)3/h5-7,11,16H,14H2,1-4H3.
What are the key properties of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine?
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 327.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 102805215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).