1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine

C16H32N4 — CID 79584531

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)c1cnn(C)c1C
InChIInChI=1S/C16H32N4/c1-7-14(8-2)20(11-12(3)4)16(9-17)15-10-18-19(6)13(15)5/h10,12,14,16H,7-9,11,17H2,1-6H3
InChIKeySPQOZDXDHOXVGJ-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.87
Rot. Bonds8

About 1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine

1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine (PubChem CID 79584531) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
PubChem CID79584531
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)c1cnn(C)c1C
InChIInChI=1S/C16H32N4/c1-7-14(8-2)20(11-12(3)4)16(9-17)15-10-18-19(6)13(15)5/h10,12,14,16H,7-9,11,17H2,1-6H3
InChIKeySPQOZDXDHOXVGJ-UHFFFAOYSA-N
XLogP2.87
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine (CID 79584531) is 1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CC(C)C)C(CN)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is SPQOZDXDHOXVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-7-14(8-2)20(11-12(3)4)16(9-17)15-10-18-19(6)13(15)5/h10,12,14,16H,7-9,11,17H2,1-6H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 280.46 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 79584531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).