[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine

C14H23ClF2N4 — CID 105316856

IUPAC[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)C2CCC(F)(F)CC2)c1Cl
InChIInChI=1S/C14H23ClF2N4/c1-3-10-13(15)12(21(2)20-10)8-11(19-18)9-4-6-14(16,17)7-5-9/h9,11,19H,3-8,18H2,1-2H3
InChIKeyWHHQUDSFSSNLDN-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.84
Rot. Bonds5

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

[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine (PubChem CID 105316856) has the molecular formula C14H23ClF2N4 and a molecular weight of 320.82 g/mol. Its IUPAC name is [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine
PubChem CID105316856
Molecular FormulaC14H23ClF2N4
Molecular Weight320.82 g/mol
Exact Mass320.16
IUPAC Name[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)C2CCC(F)(F)CC2)c1Cl
InChIInChI=1S/C14H23ClF2N4/c1-3-10-13(15)12(21(2)20-10)8-11(19-18)9-4-6-14(16,17)7-5-9/h9,11,19H,3-8,18H2,1-2H3
InChIKeyWHHQUDSFSSNLDN-UHFFFAOYSA-N
XLogP2.84
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.84
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-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropylethyl]hydrazine
CID 105202592
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603768
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231495
[1-(4,4-difluorocyclohexyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291188
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 115997943
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 104998602
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104998503
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265889
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104998501
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754910
[2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
CID 107005746
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105161027

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine (CID 105316856) is [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine is CCc1nn(C)c(CC(NN)C2CCC(F)(F)CC2)c1Cl.
What is the InChIKey of [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine?
The InChIKey is WHHQUDSFSSNLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClF2N4/c1-3-10-13(15)12(21(2)20-10)8-11(19-18)9-4-6-14(16,17)7-5-9/h9,11,19H,3-8,18H2,1-2H3.
What are the key properties of [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine?
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine has a molecular weight of 320.82 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)ethyl]hydrazine is sourced from PubChem (CID 105316856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).