[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine

C13H14ClF3N4 — CID 105208217

IUPAC[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2cc(F)c(F)c(F)c2)c1Cl
InChIInChI=1S/C13H14ClF3N4/c1-6-12(14)11(21(2)20-6)5-10(19-18)7-3-8(15)13(17)9(16)4-7/h3-4,10,19H,5,18H2,1-2H3
InChIKeyYTZPZFPSCZUAQD-UHFFFAOYSA-N
MW318.73 g/mol
LogP2.55
Rot. Bonds4

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

[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine (PubChem CID 105208217) has the molecular formula C13H14ClF3N4 and a molecular weight of 318.73 g/mol. Its IUPAC name is [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
PubChem CID105208217
Molecular FormulaC13H14ClF3N4
Molecular Weight318.73 g/mol
Exact Mass318.09
IUPAC Name[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2cc(F)c(F)c(F)c2)c1Cl
InChIInChI=1S/C13H14ClF3N4/c1-6-12(14)11(21(2)20-6)5-10(19-18)7-3-8(15)13(17)9(16)4-7/h3-4,10,19H,5,18H2,1-2H3
InChIKeyYTZPZFPSCZUAQD-UHFFFAOYSA-N
XLogP2.55
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-(3-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105201657
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105315999
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
CID 105315986
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105316041
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105316011
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105316072
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252566
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 114330434
4-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231314
1-(4-bromo-3-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanamine
CID 104996860
[1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
CID 105316016
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114852945

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine (CID 105208217) is [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine is Cc1nn(C)c(CC(NN)c2cc(F)c(F)c(F)c2)c1Cl.
What is the InChIKey of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine?
The InChIKey is YTZPZFPSCZUAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N4/c1-6-12(14)11(21(2)20-6)5-10(19-18)7-3-8(15)13(17)9(16)4-7/h3-4,10,19H,5,18H2,1-2H3.
What are the key properties of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine?
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine has a molecular weight of 318.73 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105208217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).