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

C13H26N4 — CID 79579449

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(C)C(CN)c1cnn(C)c1C
InChIInChI=1S/C13H26N4/c1-6-11(7-2)16(4)13(8-14)12-9-15-17(5)10(12)3/h9,11,13H,6-8,14H2,1-5H3
InChIKeyCTJUCAGNIYYICO-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.85
Rot. Bonds6

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

1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine (PubChem CID 79579449) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
PubChem CID79579449
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(C)C(CN)c1cnn(C)c1C
InChIInChI=1S/C13H26N4/c1-6-11(7-2)16(4)13(8-14)12-9-15-17(5)10(12)3/h9,11,13H,6-8,14H2,1-5H3
InChIKeyCTJUCAGNIYYICO-UHFFFAOYSA-N
XLogP1.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.85
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-methyl-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine (CID 79579449) is 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine is CCC(CC)N(C)C(CN)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is CTJUCAGNIYYICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-6-11(7-2)16(4)13(8-14)12-9-15-17(5)10(12)3/h9,11,13H,6-8,14H2,1-5H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine?
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.85, 6 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-methyl-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 79579449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).