[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine

C13H15ClF2N4 — CID 105206674

IUPAC[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
SMILESCCn1ncc(Cl)c1C(Cc1cc(F)cc(F)c1)NN
InChIInChI=1S/C13H15ClF2N4/c1-2-20-13(11(14)7-18-20)12(19-17)5-8-3-9(15)6-10(16)4-8/h3-4,6-7,12,19H,2,5,17H2,1H3
InChIKeyURYPATMKKMIKPC-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.58
Rot. Bonds5

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

[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine (PubChem CID 105206674) has the molecular formula C13H15ClF2N4 and a molecular weight of 300.74 g/mol. Its IUPAC name is [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
PubChem CID105206674
Molecular FormulaC13H15ClF2N4
Molecular Weight300.74 g/mol
Exact Mass300.10
IUPAC Name[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
SMILESCCn1ncc(Cl)c1C(Cc1cc(F)cc(F)c1)NN
InChIInChI=1S/C13H15ClF2N4/c1-2-20-13(11(14)7-18-20)12(19-17)5-8-3-9(15)6-10(16)4-8/h3-4,6-7,12,19H,2,5,17H2,1H3
InChIKeyURYPATMKKMIKPC-UHFFFAOYSA-N
XLogP2.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
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-(3,5-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105206646
[(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine
CID 105336403
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylsulfonylethyl]hydrazine
CID 105336459
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclopentylethyl]hydrazine
CID 105336401
[1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211289
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217778
[(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105336447
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethyl]hydrazine
CID 105336353
[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336356
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198590
(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659171
[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197082

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine (CID 105206674) is [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine is CCn1ncc(Cl)c1C(Cc1cc(F)cc(F)c1)NN.
What is the InChIKey of [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine?
The InChIKey is URYPATMKKMIKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N4/c1-2-20-13(11(14)7-18-20)12(19-17)5-8-3-9(15)6-10(16)4-8/h3-4,6-7,12,19H,2,5,17H2,1H3.
What are the key properties of [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine?
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine has a molecular weight of 300.74 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105206674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).