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

C14H23BrN6 — CID 105336990

IUPAC[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
SMILESCCc1cc(C(NN)c2c(Br)cnn2C(C)C)n(CC)n1
InChIInChI=1S/C14H23BrN6/c1-5-10-7-12(20(6-2)19-10)13(18-16)14-11(15)8-17-21(14)9(3)4/h7-9,13,18H,5-6,16H2,1-4H3
InChIKeyDGMSCJLNTBXMRA-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.56
Rot. Bonds6

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

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105336990) has the molecular formula C14H23BrN6 and a molecular weight of 355.28 g/mol. Its IUPAC name is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
PubChem CID105336990
Molecular FormulaC14H23BrN6
Molecular Weight355.28 g/mol
Exact Mass354.12
IUPAC Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
SMILESCCc1cc(C(NN)c2c(Br)cnn2C(C)C)n(CC)n1
InChIInChI=1S/C14H23BrN6/c1-5-10-7-12(20(6-2)19-10)13(18-16)14-11(15)8-17-21(14)9(3)4/h7-9,13,18H,5-6,16H2,1-4H3
InChIKeyDGMSCJLNTBXMRA-UHFFFAOYSA-N
XLogP2.56
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.56
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-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105336938
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105182837
[(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105322625
[(1,3-diethylpyrazol-5-yl)-(3-ethyltriazol-4-yl)methyl]hydrazine
CID 114213661
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105337018
[(1,3-diethylpyrazol-5-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337585
[(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)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
CID 102805215
[(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
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105336913
[(1,3-diethylpyrazol-5-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105284076

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine (CID 105336990) is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine is CCc1cc(C(NN)c2c(Br)cnn2C(C)C)n(CC)n1.
What is the InChIKey of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is DGMSCJLNTBXMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN6/c1-5-10-7-12(20(6-2)19-10)13(18-16)14-11(15)8-17-21(14)9(3)4/h7-9,13,18H,5-6,16H2,1-4H3.
What are the key properties of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine?
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 355.28 g/mol, XLogP of 2.56, 6 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-diethylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105336990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).