6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine

C16H31N3 — CID 106800552

IUPAC6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCn1nc(CC)cc1CC
InChIInChI=1S/C16H31N3/c1-5-11-17-14(6-2)10-9-12-19-16(8-4)13-15(7-3)18-19/h13-14,17H,5-12H2,1-4H3
InChIKeySJHZNKOERLPOQS-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.57
Rot. Bonds10

About 6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine

6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine (PubChem CID 106800552) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine
PubChem CID106800552
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCn1nc(CC)cc1CC
InChIInChI=1S/C16H31N3/c1-5-11-17-14(6-2)10-9-12-19-16(8-4)13-15(7-3)18-19/h13-14,17H,5-12H2,1-4H3
InChIKeySJHZNKOERLPOQS-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine?
The IUPAC name of 6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine (CID 106800552) is 6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine?
The canonical SMILES for 6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine is CCCNC(CC)CCCn1nc(CC)cc1CC.
What is the InChIKey of 6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine?
The InChIKey is SJHZNKOERLPOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-11-17-14(6-2)10-9-12-19-16(8-4)13-15(7-3)18-19/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine?
6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine has a molecular weight of 265.44 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 106800552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).