N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine

C13H24N4 — CID 86301221

IUPACN'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1C1CCCCC1
InChIInChI=1S/C13H24N4/c1-17(8-7-14)10-12-9-15-16-13(12)11-5-3-2-4-6-11/h9,11H,2-8,10,14H2,1H3,(H,15,16)
InChIKeyXGNVKPXEEKHHKL-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.85
Rot. Bonds5

About N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine

N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 86301221) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID86301221
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1C1CCCCC1
InChIInChI=1S/C13H24N4/c1-17(8-7-14)10-12-9-15-16-13(12)11-5-3-2-4-6-11/h9,11H,2-8,10,14H2,1H3,(H,15,16)
InChIKeyXGNVKPXEEKHHKL-UHFFFAOYSA-N
XLogP1.85
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine (CID 86301221) is N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1cn[nH]c1C1CCCCC1.
What is the InChIKey of N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is XGNVKPXEEKHHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-17(8-7-14)10-12-9-15-16-13(12)11-5-3-2-4-6-11/h9,11H,2-8,10,14H2,1H3,(H,15,16).
What are the key properties of N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 86301221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).