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

C13H17ClN4 — CID 105307338

IUPAC[(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
SMILESCCn1nccc1C(NN)c1cc(Cl)ccc1C
InChIInChI=1S/C13H17ClN4/c1-3-18-12(6-7-16-18)13(17-15)11-8-10(14)5-4-9(11)2/h4-8,13,17H,3,15H2,1-2H3
InChIKeyIPVHYGMMQTYEDZ-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.42
Rot. Bonds4

About [(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine

[(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine (PubChem CID 105307338) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is [(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
PubChem CID105307338
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name[(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
SMILESCCn1nccc1C(NN)c1cc(Cl)ccc1C
InChIInChI=1S/C13H17ClN4/c1-3-18-12(6-7-16-18)13(17-15)11-8-10(14)5-4-9(11)2/h4-8,13,17H,3,15H2,1-2H3
InChIKeyIPVHYGMMQTYEDZ-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

[(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 106859925
[(5-chloro-2-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307007
[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250266
(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 114027064
[(2-ethylpyrazol-3-yl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269432
[(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307110
[(5-chloro-2-methylphenyl)-(4-ethylphenyl)methyl]hydrazine
CID 105292944
N-[(3-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115858232
N-[(4-chloro-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 105040874
N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63976818
[(2-ethylpyrazol-3-yl)-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261579
[(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105246676

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine (CID 105307338) is [(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine is CCn1nccc1C(NN)c1cc(Cl)ccc1C.
What is the InChIKey of [(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is IPVHYGMMQTYEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-3-18-12(6-7-16-18)13(17-15)11-8-10(14)5-4-9(11)2/h4-8,13,17H,3,15H2,1-2H3.
What are the key properties of [(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine?
[(5-chloro-2-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 [(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 105307338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).