[2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine

C14H18ClFN4 — CID 105295191

IUPAC[2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1nn(C)c(C)c1C(Cc1ccc(F)cc1Cl)NN
InChIInChI=1S/C14H18ClFN4/c1-8-14(9(2)20(3)19-8)13(18-17)6-10-4-5-11(16)7-12(10)15/h4-5,7,13,18H,6,17H2,1-3H3
InChIKeyVOAMNOAOHLIBSB-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.58
Rot. Bonds4

About [2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine

[2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105295191) has the molecular formula C14H18ClFN4 and a molecular weight of 296.78 g/mol. Its IUPAC name is [2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105295191
Molecular FormulaC14H18ClFN4
Molecular Weight296.78 g/mol
Exact Mass296.12
IUPAC Name[2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1nn(C)c(C)c1C(Cc1ccc(F)cc1Cl)NN
InChIInChI=1S/C14H18ClFN4/c1-8-14(9(2)20(3)19-8)13(18-17)6-10-4-5-11(16)7-12(10)15/h4-5,7,13,18H,6,17H2,1-3H3
InChIKeyVOAMNOAOHLIBSB-UHFFFAOYSA-N
XLogP2.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.58
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-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105295206
[2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105216120
[2-(4-ethylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105287881
[2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105284541
[2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295166
[2-(2,4-dichlorophenyl)-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105200119
[2-(2-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190734
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107891786
[2-(2-chloro-4-fluorophenyl)-1-(furan-2-yl)ethyl]hydrazine
CID 105213440
2-(2,3-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107311906
1-(2-chloro-4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 22196500
N-ethyl-2-(4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105086774

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine (CID 105295191) is [2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine is Cc1nn(C)c(C)c1C(Cc1ccc(F)cc1Cl)NN.
What is the InChIKey of [2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is VOAMNOAOHLIBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN4/c1-8-14(9(2)20(3)19-8)13(18-17)6-10-4-5-11(16)7-12(10)15/h4-5,7,13,18H,6,17H2,1-3H3.
What are the key properties of [2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
[2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 296.78 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105295191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).