4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine

C12H15ClFN5 — CID 102867831

IUPAC4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(Cc2cccc(Cl)c2F)NN)c1N
InChIInChI=1S/C12H15ClFN5/c1-19-12(15)8(6-17-19)10(18-16)5-7-3-2-4-9(13)11(7)14/h2-4,6,10,18H,5,15-16H2,1H3
InChIKeyBBZLMJBOTFPMCZ-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.54
Rot. Bonds4

About 4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine

4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine (PubChem CID 102867831) has the molecular formula C12H15ClFN5 and a molecular weight of 283.74 g/mol. Its IUPAC name is 4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
PubChem CID102867831
Molecular FormulaC12H15ClFN5
Molecular Weight283.74 g/mol
Exact Mass283.10
IUPAC Name4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(Cc2cccc(Cl)c2F)NN)c1N
InChIInChI=1S/C12H15ClFN5/c1-19-12(15)8(6-17-19)10(18-16)5-7-3-2-4-9(13)11(7)14/h2-4,6,10,18H,5,15-16H2,1H3
InChIKeyBBZLMJBOTFPMCZ-UHFFFAOYSA-N
XLogP1.54
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
CID 105264497
[2-(3-chloro-2-fluorophenyl)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105264357
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylethanamine
CID 114660124
4-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 105230944
4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 105230777
[1-(2-chloro-5-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105397954
[1-(2-bromo-4-methylphenyl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 102868674
[1-(2-bromo-4-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 107997395
[2-(3-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethyl]hydrazine
CID 105264375
4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 105230843
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 82806793
[1-(3-chloro-2-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105264351

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine (CID 102867831) is 4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine is Cn1ncc(C(Cc2cccc(Cl)c2F)NN)c1N.
What is the InChIKey of 4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine?
The InChIKey is BBZLMJBOTFPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN5/c1-19-12(15)8(6-17-19)10(18-16)5-7-3-2-4-9(13)11(7)14/h2-4,6,10,18H,5,15-16H2,1H3.
What are the key properties of 4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine?
4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine has a molecular weight of 283.74 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 102867831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).