[1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine

C15H20BrClN4 — CID 105335286

IUPAC[1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
SMILESCc1nn(C)c(C)c1CC(Cc1ccc(Br)cc1Cl)NN
InChIInChI=1S/C15H20BrClN4/c1-9-14(10(2)21(3)20-9)8-13(19-18)6-11-4-5-12(16)7-15(11)17/h4-5,7,13,19H,6,8,18H2,1-3H3
InChIKeyDJZWERJOJXPWSO-UHFFFAOYSA-N
MW371.71 g/mol
LogP3.07
Rot. Bonds5

About [1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine

[1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine (PubChem CID 105335286) has the molecular formula C15H20BrClN4 and a molecular weight of 371.71 g/mol. Its IUPAC name is [1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
PubChem CID105335286
Molecular FormulaC15H20BrClN4
Molecular Weight371.71 g/mol
Exact Mass370.06
IUPAC Name[1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
SMILESCc1nn(C)c(C)c1CC(Cc1ccc(Br)cc1Cl)NN
InChIInChI=1S/C15H20BrClN4/c1-9-14(10(2)21(3)20-9)8-13(19-18)6-11-4-5-12(16)7-15(11)17/h4-5,7,13,19H,6,8,18H2,1-3H3
InChIKeyDJZWERJOJXPWSO-UHFFFAOYSA-N
XLogP3.07
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105200126
[1-(2-chloro-6-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105289114
1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one
CID 105129160
[1-(4-bromo-2-chlorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105335288
[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206418
[1-(4-bromo-2-chlorophenyl)-3-(3,5-difluorophenyl)propan-2-yl]hydrazine
CID 105206721
1-(4-bromo-2-chlorophenyl)octan-2-ylhydrazine
CID 105335285
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine
CID 105264489
2-[(4-bromo-2-chlorophenyl)methyl]-1-ethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951684
[1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105334822
[1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-yl]hydrazine
CID 105216081
[2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105295191

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine (CID 105335286) is [1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine is Cc1nn(C)c(C)c1CC(Cc1ccc(Br)cc1Cl)NN.
What is the InChIKey of [1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine?
The InChIKey is DJZWERJOJXPWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN4/c1-9-14(10(2)21(3)20-9)8-13(19-18)6-11-4-5-12(16)7-15(11)17/h4-5,7,13,19H,6,8,18H2,1-3H3.
What are the key properties of [1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine?
[1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine has a molecular weight of 371.71 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105335286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).