[3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine

C17H26N4 — CID 105216281

IUPAC[3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine
SMILESCC(C)n1ccc(CC(NN)C(C)(C)c2ccccc2)n1
InChIInChI=1S/C17H26N4/c1-13(2)21-11-10-15(20-21)12-16(19-18)17(3,4)14-8-6-5-7-9-14/h5-11,13,16,19H,12,18H2,1-4H3
InChIKeyFMVSKNVBTXAVDM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.82
Rot. Bonds6

About [3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine

[3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine (PubChem CID 105216281) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is [3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine
PubChem CID105216281
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name[3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine
SMILESCC(C)n1ccc(CC(NN)C(C)(C)c2ccccc2)n1
InChIInChI=1S/C17H26N4/c1-13(2)21-11-10-15(20-21)12-16(19-18)17(3,4)14-8-6-5-7-9-14/h5-11,13,16,19H,12,18H2,1-4H3
InChIKeyFMVSKNVBTXAVDM-UHFFFAOYSA-N
XLogP2.82
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine?
The IUPAC name of [3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine (CID 105216281) is [3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine?
The canonical SMILES for [3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine is CC(C)n1ccc(CC(NN)C(C)(C)c2ccccc2)n1.
What is the InChIKey of [3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine?
The InChIKey is FMVSKNVBTXAVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13(2)21-11-10-15(20-21)12-16(19-18)17(3,4)14-8-6-5-7-9-14/h5-11,13,16,19H,12,18H2,1-4H3.
What are the key properties of [3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine?
[3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine has a molecular weight of 286.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105216281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).