N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine

C9H16N4 — CID 103542644

IUPACN'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCNc1ccnn1C
InChIInChI=1S/C9H16N4/c1-3-5-10-7-8-11-9-4-6-12-13(9)2/h3-4,6,10-11H,1,5,7-8H2,2H3
InChIKeyLWICWTIRTOICRK-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.61
Rot. Bonds6

About N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine

N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 103542644) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine
PubChem CID103542644
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCNc1ccnn1C
InChIInChI=1S/C9H16N4/c1-3-5-10-7-8-11-9-4-6-12-13(9)2/h3-4,6,10-11H,1,5,7-8H2,2H3
InChIKeyLWICWTIRTOICRK-UHFFFAOYSA-N
XLogP0.61
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine (CID 103542644) is N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine is C=CCNCCNc1ccnn1C.
What is the InChIKey of N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is LWICWTIRTOICRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-5-10-7-8-11-9-4-6-12-13(9)2/h3-4,6,10-11H,1,5,7-8H2,2H3.
What are the key properties of N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine?
N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 103542644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).