[1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine

C15H30N4S — CID 105226952

IUPAC[1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
SMILESCCC(CC)n1ccc(CC(CSCC(C)C)NN)n1
InChIInChI=1S/C15H30N4S/c1-5-15(6-2)19-8-7-13(18-19)9-14(17-16)11-20-10-12(3)4/h7-8,12,14-15,17H,5-6,9-11,16H2,1-4H3
InChIKeyWZGOMIFPGVMEBL-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.01
Rot. Bonds10

About [1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine

[1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine (PubChem CID 105226952) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is [1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
PubChem CID105226952
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC Name[1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
SMILESCCC(CC)n1ccc(CC(CSCC(C)C)NN)n1
InChIInChI=1S/C15H30N4S/c1-5-15(6-2)19-8-7-13(18-19)9-14(17-16)11-20-10-12(3)4/h7-8,12,14-15,17H,5-6,9-11,16H2,1-4H3
InChIKeyWZGOMIFPGVMEBL-UHFFFAOYSA-N
XLogP3.01
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.01
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

N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65135128
[1-cyclopentylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227639
1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ylhydrazine
CID 105313398
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876191
[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227116
2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 64777112
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
[1-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226767
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine (CID 105226952) is [1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine is CCC(CC)n1ccc(CC(CSCC(C)C)NN)n1.
What is the InChIKey of [1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine?
The InChIKey is WZGOMIFPGVMEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-5-15(6-2)19-8-7-13(18-19)9-14(17-16)11-20-10-12(3)4/h7-8,12,14-15,17H,5-6,9-11,16H2,1-4H3.
What are the key properties of [1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine?
[1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine has a molecular weight of 298.50 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105226952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).