N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine

C11H21N5 — CID 83823087

IUPACN'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine
SMILESCN1CCCC(N(CCN)c2cn[nH]c2)C1
InChIInChI=1S/C11H21N5/c1-15-5-2-3-10(9-15)16(6-4-12)11-7-13-14-8-11/h7-8,10H,2-6,9,12H2,1H3,(H,13,14)
InChIKeyVNQACDKGQAPGPO-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.27
Rot. Bonds4

About N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine

N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine (PubChem CID 83823087) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine
PubChem CID83823087
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine
SMILESCN1CCCC(N(CCN)c2cn[nH]c2)C1
InChIInChI=1S/C11H21N5/c1-15-5-2-3-10(9-15)16(6-4-12)11-7-13-14-8-11/h7-8,10H,2-6,9,12H2,1H3,(H,13,14)
InChIKeyVNQACDKGQAPGPO-UHFFFAOYSA-N
XLogP0.27
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine (CID 83823087) is N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine is CN1CCCC(N(CCN)c2cn[nH]c2)C1.
What is the InChIKey of N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is VNQACDKGQAPGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-15-5-2-3-10(9-15)16(6-4-12)11-7-13-14-8-11/h7-8,10H,2-6,9,12H2,1H3,(H,13,14).
What are the key properties of N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine?
N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylpiperidin-3-yl)-N'-(1H-pyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 83823087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).