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

C14H19ClN4 — CID 106868341

IUPAC[2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1ccc(CC(NN)c2cnn(C)c2C)c(Cl)c1
InChIInChI=1S/C14H19ClN4/c1-9-4-5-11(13(15)6-9)7-14(18-16)12-8-17-19(3)10(12)2/h4-6,8,14,18H,7,16H2,1-3H3
InChIKeyCSJVOZXDDWVURM-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.44
Rot. Bonds4

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

[2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 106868341) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is [2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine
PubChem CID106868341
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name[2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1ccc(CC(NN)c2cnn(C)c2C)c(Cl)c1
InChIInChI=1S/C14H19ClN4/c1-9-4-5-11(13(15)6-9)7-14(18-16)12-8-17-19(3)10(12)2/h4-6,8,14,18H,7,16H2,1-3H3
InChIKeyCSJVOZXDDWVURM-UHFFFAOYSA-N
XLogP2.44
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine (CID 106868341) is [2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine is Cc1ccc(CC(NN)c2cnn(C)c2C)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is CSJVOZXDDWVURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-9-4-5-11(13(15)6-9)7-14(18-16)12-8-17-19(3)10(12)2/h4-6,8,14,18H,7,16H2,1-3H3.
What are the key properties of [2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine?
[2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 278.79 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 106868341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).