[1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine

C13H17ClN4 — CID 105291154

IUPAC[1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1ccc(C(Cc2cnn(C)c2)NN)cc1Cl
InChIInChI=1S/C13H17ClN4/c1-9-3-4-11(6-12(9)14)13(17-15)5-10-7-16-18(2)8-10/h3-4,6-8,13,17H,5,15H2,1-2H3
InChIKeyFIBNKWQEVXBIHF-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.13
Rot. Bonds4

About [1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine

[1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105291154) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is [1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105291154
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name[1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1ccc(C(Cc2cnn(C)c2)NN)cc1Cl
InChIInChI=1S/C13H17ClN4/c1-9-3-4-11(6-12(9)14)13(17-15)5-10-7-16-18(2)8-10/h3-4,6-8,13,17H,5,15H2,1-2H3
InChIKeyFIBNKWQEVXBIHF-UHFFFAOYSA-N
XLogP2.13
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.13
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

[1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291168
[1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105253076
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
[1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291170
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
[1-(3-chloro-4-methylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310314
[2-(1-methylpyrazol-4-yl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105261883
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
CID 105315986
[2-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)ethyl]hydrazine
CID 105251829
[2-(3-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
CID 105290439
[1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105238664
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126627

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine (CID 105291154) is [1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine is Cc1ccc(C(Cc2cnn(C)c2)NN)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is FIBNKWQEVXBIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-9-3-4-11(6-12(9)14)13(17-15)5-10-7-16-18(2)8-10/h3-4,6-8,13,17H,5,15H2,1-2H3.
What are the key properties of [1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine?
[1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 264.76 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105291154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).