[2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine

C6H8Cl2F2N4 — CID 105265541

IUPAC[2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine
SMILESCn1ncc(Cl)c1C(NN)C(F)(F)Cl
InChIInChI=1S/C6H8Cl2F2N4/c1-14-4(3(7)2-12-14)5(13-11)6(8,9)10/h2,5,13H,11H2,1H3
InChIKeyXBUMEGHJHSUMPL-UHFFFAOYSA-N
MW245.06 g/mol
LogP1.41
Rot. Bonds3

About [2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine

[2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine (PubChem CID 105265541) has the molecular formula C6H8Cl2F2N4 and a molecular weight of 245.06 g/mol. Its IUPAC name is [2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine.

Molecular Properties

Compound Name[2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine
PubChem CID105265541
Molecular FormulaC6H8Cl2F2N4
Molecular Weight245.06 g/mol
Exact Mass244.01
IUPAC Name[2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine
SMILESCn1ncc(Cl)c1C(NN)C(F)(F)Cl
InChIInChI=1S/C6H8Cl2F2N4/c1-14-4(3(7)2-12-14)5(13-11)6(8,9)10/h2,5,13H,11H2,1H3
InChIKeyXBUMEGHJHSUMPL-UHFFFAOYSA-N
XLogP1.41
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206072
[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine
CID 105217742
1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 114643514
[2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine
CID 130603794
[(4-chloro-1-methylpyrazol-5-yl)-(3,5-dichlorophenyl)methyl]hydrazine
CID 105338868
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312325
[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250271
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312651
[(4-chloro-1-methylpyrazol-5-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203738
[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196547
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 114648465
1-(4-chloro-1-methylpyrazol-5-yl)but-3-enylhydrazine
CID 105269743

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine?
The IUPAC name of [2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine (CID 105265541) is [2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine.
What is the SMILES notation for [2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine?
The canonical SMILES for [2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine is Cn1ncc(Cl)c1C(NN)C(F)(F)Cl.
What is the InChIKey of [2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine?
The InChIKey is XBUMEGHJHSUMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2F2N4/c1-14-4(3(7)2-12-14)5(13-11)6(8,9)10/h2,5,13H,11H2,1H3.
What are the key properties of [2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine?
[2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine has a molecular weight of 245.06 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine is sourced from PubChem (CID 105265541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).