[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine

C14H27ClN4O — CID 105271455

IUPAC[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
SMILESCCCC(OCC)C(Cc1c(Cl)c(CC)nn1C)NN
InChIInChI=1S/C14H27ClN4O/c1-5-8-13(20-7-3)11(17-16)9-12-14(15)10(6-2)18-19(12)4/h11,13,17H,5-9,16H2,1-4H3
InChIKeySOFPZMAQYGTQDH-UHFFFAOYSA-N
MW302.85 g/mol
LogP2.22
Rot. Bonds9

About [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine

[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine (PubChem CID 105271455) has the molecular formula C14H27ClN4O and a molecular weight of 302.85 g/mol. Its IUPAC name is [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
PubChem CID105271455
Molecular FormulaC14H27ClN4O
Molecular Weight302.85 g/mol
Exact Mass302.19
IUPAC Name[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
SMILESCCCC(OCC)C(Cc1c(Cl)c(CC)nn1C)NN
InChIInChI=1S/C14H27ClN4O/c1-5-8-13(20-7-3)11(17-16)9-12-14(15)10(6-2)18-19(12)4/h11,13,17H,5-9,16H2,1-4H3
InChIKeySOFPZMAQYGTQDH-UHFFFAOYSA-N
XLogP2.22
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 52.22
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-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-amine
CID 116717592
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719549
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271494
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine
CID 116715572
[1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-ethoxy-4-methylpentan-2-yl]hydrazine
CID 105272570
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
CID 105159803
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-yl]hydrazine
CID 105199615
[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217584
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpentan-2-yl]hydrazine
CID 105314862
4-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 81012559
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79952752
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-propan-2-ylhexan-2-amine
CID 79413022

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine?
The IUPAC name of [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine (CID 105271455) is [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine is CCCC(OCC)C(Cc1c(Cl)c(CC)nn1C)NN.
What is the InChIKey of [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine?
The InChIKey is SOFPZMAQYGTQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN4O/c1-5-8-13(20-7-3)11(17-16)9-12-14(15)10(6-2)18-19(12)4/h11,13,17H,5-9,16H2,1-4H3.
What are the key properties of [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine?
[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine has a molecular weight of 302.85 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine is sourced from PubChem (CID 105271455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).