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

C14H18BrFN4 — CID 105198272

IUPAC[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
SMILESCc1nn(C)c(CC(Cc2ccc(F)cc2)NN)c1Br
InChIInChI=1S/C14H18BrFN4/c1-9-14(15)13(20(2)19-9)8-12(18-17)7-10-3-5-11(16)6-4-10/h3-6,12,18H,7-8,17H2,1-2H3
InChIKeyFVIDHQUDRNUMQI-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.25
Rot. Bonds5

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

[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine (PubChem CID 105198272) has the molecular formula C14H18BrFN4 and a molecular weight of 341.23 g/mol. Its IUPAC name is [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
PubChem CID105198272
Molecular FormulaC14H18BrFN4
Molecular Weight341.23 g/mol
Exact Mass340.07
IUPAC Name[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
SMILESCc1nn(C)c(CC(Cc2ccc(F)cc2)NN)c1Br
InChIInChI=1S/C14H18BrFN4/c1-9-14(15)13(20(2)19-9)8-12(18-17)7-10-3-5-11(16)6-4-10/h3-6,12,18H,7-8,17H2,1-2H3
InChIKeyFVIDHQUDRNUMQI-UHFFFAOYSA-N
XLogP2.25
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.25
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-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195516
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206328
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105211273
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244714
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105200126
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine
CID 105317826
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 105204804
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105317779
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245331
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine
CID 105000432
[1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198260
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196448

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine (CID 105198272) is [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine is Cc1nn(C)c(CC(Cc2ccc(F)cc2)NN)c1Br.
What is the InChIKey of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine?
The InChIKey is FVIDHQUDRNUMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN4/c1-9-14(15)13(20(2)19-9)8-12(18-17)7-10-3-5-11(16)6-4-10/h3-6,12,18H,7-8,17H2,1-2H3.
What are the key properties of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine?
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine has a molecular weight of 341.23 g/mol, XLogP of 2.25, 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-(4-fluorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105198272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).