1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine

C11H20N4 — CID 79458214

IUPAC1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(NCCn2cccn2)C1
InChIInChI=1S/C11H20N4/c12-10-3-1-4-11(9-10)13-6-8-15-7-2-5-14-15/h2,5,7,10-11,13H,1,3-4,6,8-9,12H2
InChIKeyIXCQEDLFJKORDB-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.74
Rot. Bonds4

About 1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine

1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine (PubChem CID 79458214) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine
PubChem CID79458214
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(NCCn2cccn2)C1
InChIInChI=1S/C11H20N4/c12-10-3-1-4-11(9-10)13-6-8-15-7-2-5-14-15/h2,5,7,10-11,13H,1,3-4,6,8-9,12H2
InChIKeyIXCQEDLFJKORDB-UHFFFAOYSA-N
XLogP0.74
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine (CID 79458214) is 1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine is NC1CCCC(NCCn2cccn2)C1.
What is the InChIKey of 1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine?
The InChIKey is IXCQEDLFJKORDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-10-3-1-4-11(9-10)13-6-8-15-7-2-5-14-15/h2,5,7,10-11,13H,1,3-4,6,8-9,12H2.
What are the key properties of 1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine?
1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).