N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine

C10H20N4 — CID 61492014

IUPACN'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
SMILESCCCN(CCN)CCn1cccn1
InChIInChI=1S/C10H20N4/c1-2-6-13(8-4-11)9-10-14-7-3-5-12-14/h3,5,7H,2,4,6,8-11H2,1H3
InChIKeyXTWIJFCGDBEYFD-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.55
Rot. Bonds7

About N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine

N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine (PubChem CID 61492014) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
PubChem CID61492014
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
SMILESCCCN(CCN)CCn1cccn1
InChIInChI=1S/C10H20N4/c1-2-6-13(8-4-11)9-10-14-7-3-5-12-14/h3,5,7H,2,4,6,8-11H2,1H3
InChIKeyXTWIJFCGDBEYFD-UHFFFAOYSA-N
XLogP0.55
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine (CID 61492014) is N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine is CCCN(CCN)CCn1cccn1.
What is the InChIKey of N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine?
The InChIKey is XTWIJFCGDBEYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-2-6-13(8-4-11)9-10-14-7-3-5-12-14/h3,5,7H,2,4,6,8-11H2,1H3.
What are the key properties of N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine?
N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 61492014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).