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

C12H22N4 — CID 86301379

IUPACN'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1C1CCCC1
InChIInChI=1S/C12H22N4/c1-16(7-6-13)9-11-8-14-15-12(11)10-4-2-3-5-10/h8,10H,2-7,9,13H2,1H3,(H,14,15)
InChIKeyOTJLCXKIPVHIDO-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.46
Rot. Bonds5

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

N'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 86301379) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID86301379
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1C1CCCC1
InChIInChI=1S/C12H22N4/c1-16(7-6-13)9-11-8-14-15-12(11)10-4-2-3-5-10/h8,10H,2-7,9,13H2,1H3,(H,14,15)
InChIKeyOTJLCXKIPVHIDO-UHFFFAOYSA-N
XLogP1.46
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine (CID 86301379) is N'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1cn[nH]c1C1CCCC1.
What is the InChIKey of N'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is OTJLCXKIPVHIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-16(7-6-13)9-11-8-14-15-12(11)10-4-2-3-5-10/h8,10H,2-7,9,13H2,1H3,(H,14,15).
What are the key properties of N'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine?
N'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-cyclopentyl-1H-pyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 86301379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).