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

C14H19ClN4 — CID 107562686

IUPAC[(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine
SMILESCCc1nn(C)cc1C(NN)c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H19ClN4/c1-4-13-11(8-19(3)18-13)14(17-16)10-6-5-9(2)12(15)7-10/h5-8,14,17H,4,16H2,1-3H3
InChIKeyHGFFQVSWGCTPOQ-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.50
Rot. Bonds4

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

[(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine (PubChem CID 107562686) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is [(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine
PubChem CID107562686
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name[(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine
SMILESCCc1nn(C)cc1C(NN)c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H19ClN4/c1-4-13-11(8-19(3)18-13)14(17-16)10-6-5-9(2)12(15)7-10/h5-8,14,17H,4,16H2,1-3H3
InChIKeyHGFFQVSWGCTPOQ-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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 [(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine (CID 107562686) is [(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine is CCc1nn(C)cc1C(NN)c1ccc(C)c(Cl)c1.
What is the InChIKey of [(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is HGFFQVSWGCTPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-4-13-11(8-19(3)18-13)14(17-16)10-6-5-9(2)12(15)7-10/h5-8,14,17H,4,16H2,1-3H3.
What are the key properties of [(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine?
[(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 278.79 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 107562686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).