[(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine

C13H17ClN4 — CID 106859925

IUPAC[(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
SMILESCCn1nccc1C(NN)c1ccc(C)cc1Cl
InChIInChI=1S/C13H17ClN4/c1-3-18-12(6-7-16-18)13(17-15)10-5-4-9(2)8-11(10)14/h4-8,13,17H,3,15H2,1-2H3
InChIKeySSSIWZGUEKKTEW-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.42
Rot. Bonds4

About [(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine

[(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine (PubChem CID 106859925) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is [(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
PubChem CID106859925
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name[(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
SMILESCCn1nccc1C(NN)c1ccc(C)cc1Cl
InChIInChI=1S/C13H17ClN4/c1-3-18-12(6-7-16-18)13(17-15)10-5-4-9(2)8-11(10)14/h4-8,13,17H,3,15H2,1-2H3
InChIKeySSSIWZGUEKKTEW-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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

[(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307338
[(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 106860223
[(2-ethylpyrazol-3-yl)-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261579
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106857640
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857639
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792297
[(2-ethylpyrazol-3-yl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269432
[1-benzofuran-3-yl-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105262483
[(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307110
[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250266
[(2-chloro-4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105215276
[(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105246676

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine (CID 106859925) is [(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine is CCn1nccc1C(NN)c1ccc(C)cc1Cl.
What is the InChIKey of [(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is SSSIWZGUEKKTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-3-18-12(6-7-16-18)13(17-15)10-5-4-9(2)8-11(10)14/h4-8,13,17H,3,15H2,1-2H3.
What are the key properties of [(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine?
[(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 264.76 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 106859925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).