[2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine

C13H17ClN4O — CID 105288679

IUPAC[2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine
SMILESCC(Oc1cccc(Cl)c1)C(NN)c1cnn(C)c1
InChIInChI=1S/C13H17ClN4O/c1-9(19-12-5-3-4-11(14)6-12)13(17-15)10-7-16-18(2)8-10/h3-9,13,17H,15H2,1-2H3
InChIKeyMSQDOHDRXVZOHB-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.05
Rot. Bonds5

About [2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine

[2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine (PubChem CID 105288679) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is [2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine
PubChem CID105288679
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name[2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine
SMILESCC(Oc1cccc(Cl)c1)C(NN)c1cnn(C)c1
InChIInChI=1S/C13H17ClN4O/c1-9(19-12-5-3-4-11(14)6-12)13(17-15)10-7-16-18(2)8-10/h3-9,13,17H,15H2,1-2H3
InChIKeyMSQDOHDRXVZOHB-UHFFFAOYSA-N
XLogP2.05
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine
CID 106466368
[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenoxy)propyl]hydrazine
CID 107562651
[2-(3-chlorophenoxy)-1-thiophen-3-ylpropyl]hydrazine
CID 105311964
[2-(3-chlorophenoxy)-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105306951
[2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propyl]hydrazine
CID 105285682
[1-(3-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propyl]hydrazine
CID 106649782
[2-(3-chlorophenoxy)-1-(2,3-difluorophenyl)propyl]hydrazine
CID 105309301
[2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)propyl]hydrazine
CID 105303167
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
CID 105182888
[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103025590
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105118874
[(2-chlorofuran-3-yl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 106694209

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine?
The IUPAC name of [2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine (CID 105288679) is [2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine.
What is the SMILES notation for [2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine?
The canonical SMILES for [2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine is CC(Oc1cccc(Cl)c1)C(NN)c1cnn(C)c1.
What is the InChIKey of [2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine?
The InChIKey is MSQDOHDRXVZOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-9(19-12-5-3-4-11(14)6-12)13(17-15)10-7-16-18(2)8-10/h3-9,13,17H,15H2,1-2H3.
What are the key properties of [2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine?
[2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine has a molecular weight of 280.76 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine is sourced from PubChem (CID 105288679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).