N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine

C11H20N4 — CID 103569730

IUPACN-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
SMILESC=CCCNC(CN)c1cnn(CC)c1
InChIInChI=1S/C11H20N4/c1-3-5-6-13-11(7-12)10-8-14-15(4-2)9-10/h3,8-9,11,13H,1,4-7,12H2,2H3
InChIKeyDFXJNHPYDZFYEN-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.07
Rot. Bonds7

About N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine

N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 103569730) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID103569730
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
SMILESC=CCCNC(CN)c1cnn(CC)c1
InChIInChI=1S/C11H20N4/c1-3-5-6-13-11(7-12)10-8-14-15(4-2)9-10/h3,8-9,11,13H,1,4-7,12H2,2H3
InChIKeyDFXJNHPYDZFYEN-UHFFFAOYSA-N
XLogP1.07
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.07
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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Related Compounds

2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
CID 103569652
1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 103569661
1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894
1-(1-propylpyrazol-4-yl)but-3-enylhydrazine
CID 105269651
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153
1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79964065
1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105108864
N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135434
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
3-(ethylamino)-3-(1-ethylpyrazol-4-yl)propanamide
CID 103570864

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine (CID 103569730) is N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine is C=CCCNC(CN)c1cnn(CC)c1.
What is the InChIKey of N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is DFXJNHPYDZFYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-5-6-13-11(7-12)10-8-14-15(4-2)9-10/h3,8-9,11,13H,1,4-7,12H2,2H3.
What are the key properties of N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine?
N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 103569730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).