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

C14H19ClN4O — CID 103025590

IUPAC[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
SMILESCn1cc(CCC(COc2cccc(Cl)c2)NN)cn1
InChIInChI=1S/C14H19ClN4O/c1-19-9-11(8-17-19)5-6-13(18-16)10-20-14-4-2-3-12(15)7-14/h2-4,7-9,13,18H,5-6,10,16H2,1H3
InChIKeyTYPHLXYSVZLKRG-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.92
Rot. Bonds7

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

[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine (PubChem CID 103025590) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is [1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
PubChem CID103025590
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
SMILESCn1cc(CCC(COc2cccc(Cl)c2)NN)cn1
InChIInChI=1S/C14H19ClN4O/c1-19-9-11(8-17-19)5-6-13(18-16)10-20-14-4-2-3-12(15)7-14/h2-4,7-9,13,18H,5-6,10,16H2,1H3
InChIKeyTYPHLXYSVZLKRG-UHFFFAOYSA-N
XLogP1.92
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.92
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-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 105082685
[1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025657
N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
CID 103009843
[1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine
CID 114211647
[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105317037
[4-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103217867
[1-(3-chlorophenoxy)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105284980
1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030418
1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779141
[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine
CID 105309951
1-(1-methylpyrazol-4-yl)hex-5-en-3-ylhydrazine
CID 103027060
[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105204779

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine (CID 103025590) is [1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine is Cn1cc(CCC(COc2cccc(Cl)c2)NN)cn1.
What is the InChIKey of [1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine?
The InChIKey is TYPHLXYSVZLKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-19-9-11(8-17-19)5-6-13(18-16)10-20-14-4-2-3-12(15)7-14/h2-4,7-9,13,18H,5-6,10,16H2,1H3.
What are the key properties of [1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine?
[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine has a molecular weight of 294.79 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 103025590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).