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

C13H21BrN6 — CID 105336938

IUPAC[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
SMILESCCc1cc(C(NN)c2c(Br)cnn2C(C)C)n(C)n1
InChIInChI=1S/C13H21BrN6/c1-5-9-6-11(19(4)18-9)12(17-15)13-10(14)7-16-20(13)8(2)3/h6-8,12,17H,5,15H2,1-4H3
InChIKeyIPWYRMXOXBCPDH-UHFFFAOYSA-N
MW341.26 g/mol
LogP2.08
Rot. Bonds5

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

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105336938) has the molecular formula C13H21BrN6 and a molecular weight of 341.26 g/mol. Its IUPAC name is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
PubChem CID105336938
Molecular FormulaC13H21BrN6
Molecular Weight341.26 g/mol
Exact Mass340.10
IUPAC Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
SMILESCCc1cc(C(NN)c2c(Br)cnn2C(C)C)n(C)n1
InChIInChI=1S/C13H21BrN6/c1-5-9-6-11(19(4)18-9)12(17-15)13-10(14)7-16-20(13)8(2)3/h6-8,12,17H,5,15H2,1-4H3
InChIKeyIPWYRMXOXBCPDH-UHFFFAOYSA-N
XLogP2.08
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 52.08
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)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105336990
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105337018
[(4-bromo-1-methylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]hydrazine
CID 105342219
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
CID 102805215
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105182837
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine
CID 105337011
[(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-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105127642
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105336913
[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105335521
[(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105337024

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine (CID 105336938) is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine is CCc1cc(C(NN)c2c(Br)cnn2C(C)C)n(C)n1.
What is the InChIKey of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is IPWYRMXOXBCPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN6/c1-5-9-6-11(19(4)18-9)12(17-15)13-10(14)7-16-20(13)8(2)3/h6-8,12,17H,5,15H2,1-4H3.
What are the key properties of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine?
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 341.26 g/mol, XLogP of 2.08, 5 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)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105336938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).