[2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine

C16H23ClN4 — CID 105312611

IUPAC[2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)c2cccc(C)c2Cl)n1
InChIInChI=1S/C16H23ClN4/c1-4-12(3)21-9-8-13(20-21)10-15(19-18)14-7-5-6-11(2)16(14)17/h5-9,12,15,19H,4,10,18H2,1-3H3
InChIKeyUCJDFAAQYOSUPG-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.56
Rot. Bonds6

About [2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine

[2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine (PubChem CID 105312611) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is [2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
PubChem CID105312611
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name[2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)c2cccc(C)c2Cl)n1
InChIInChI=1S/C16H23ClN4/c1-4-12(3)21-9-8-13(20-21)10-15(19-18)14-7-5-6-11(2)16(14)17/h5-9,12,15,19H,4,10,18H2,1-3H3
InChIKeyUCJDFAAQYOSUPG-UHFFFAOYSA-N
XLogP3.56
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.56
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-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 104989612
[1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312551
[1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312731
[1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312538
[1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312794
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105312536
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]hydrazine
CID 102813123
[2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105204127
[1-(2-bromo-4-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312566
[1-(2-chloro-3-methylphenyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105285247
1-(3-bromo-2-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 107953147
[1-(2-chloro-3-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317566

Frequently Asked Questions

What is the IUPAC name of [2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine (CID 105312611) is [2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine is CCC(C)n1ccc(CC(NN)c2cccc(C)c2Cl)n1.
What is the InChIKey of [2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine?
The InChIKey is UCJDFAAQYOSUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-4-12(3)21-9-8-13(20-21)10-15(19-18)14-7-5-6-11(2)16(14)17/h5-9,12,15,19H,4,10,18H2,1-3H3.
What are the key properties of [2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine?
[2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine has a molecular weight of 306.84 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105312611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).