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

C14H17BrCl2N4 — CID 105200126

IUPAC[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
SMILESCc1nn(C)c(CC(Cc2ccc(Cl)cc2Cl)NN)c1Br
InChIInChI=1S/C14H17BrCl2N4/c1-8-14(15)13(21(2)20-8)7-11(19-18)5-9-3-4-10(16)6-12(9)17/h3-4,6,11,19H,5,7,18H2,1-2H3
InChIKeySGCALUPVSSLAPR-UHFFFAOYSA-N
MW392.13 g/mol
LogP3.41
Rot. Bonds5

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

[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine (PubChem CID 105200126) has the molecular formula C14H17BrCl2N4 and a molecular weight of 392.13 g/mol. Its IUPAC name is [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
PubChem CID105200126
Molecular FormulaC14H17BrCl2N4
Molecular Weight392.13 g/mol
Exact Mass390.00
IUPAC Name[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
SMILESCc1nn(C)c(CC(Cc2ccc(Cl)cc2Cl)NN)c1Br
InChIInChI=1S/C14H17BrCl2N4/c1-8-14(15)13(21(2)20-8)7-11(19-18)5-9-3-4-10(16)6-12(9)17/h3-4,6,11,19H,5,7,18H2,1-2H3
InChIKeySGCALUPVSSLAPR-UHFFFAOYSA-N
XLogP3.41
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.13
LogP ≤ 53.41
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

[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105317811
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195516
[1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105335286
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105217846
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198272
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105000382
[1-(2,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105199055
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206328
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244714
[1-(2,4-dichlorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105200215
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine
CID 105317826
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethyl]hydrazine
CID 107103733

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine (CID 105200126) is [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine is Cc1nn(C)c(CC(Cc2ccc(Cl)cc2Cl)NN)c1Br.
What is the InChIKey of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine?
The InChIKey is SGCALUPVSSLAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrCl2N4/c1-8-14(15)13(21(2)20-8)7-11(19-18)5-9-3-4-10(16)6-12(9)17/h3-4,6,11,19H,5,7,18H2,1-2H3.
What are the key properties of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine?
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine has a molecular weight of 392.13 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105200126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).