1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine

C14H24N4 — CID 114161042

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
SMILESC#CC(CCC)NC(CN)c1cn(C)nc1CC
InChIInChI=1S/C14H24N4/c1-5-8-11(6-2)16-14(9-15)12-10-18(4)17-13(12)7-3/h2,10-11,14,16H,5,7-9,15H2,1,3-4H3
InChIKeyPHXCPPNCWKTALK-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.37
Rot. Bonds7

About 1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine

1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine (PubChem CID 114161042) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
PubChem CID114161042
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
SMILESC#CC(CCC)NC(CN)c1cn(C)nc1CC
InChIInChI=1S/C14H24N4/c1-5-8-11(6-2)16-14(9-15)12-10-18(4)17-13(12)7-3/h2,10-11,14,16H,5,7-9,15H2,1,3-4H3
InChIKeyPHXCPPNCWKTALK-UHFFFAOYSA-N
XLogP1.37
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106228337
1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine
CID 112669602
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669590
N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 114161073
1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
CID 112669491
1-(3-ethylimidazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106227949
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylprop-2-yn-1-amine
CID 102812510
3-[[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]amino]propan-1-ol
CID 112669542
1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616015
N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669529
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine (CID 114161042) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine is C#CC(CCC)NC(CN)c1cn(C)nc1CC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine?
The InChIKey is PHXCPPNCWKTALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-8-11(6-2)16-14(9-15)12-10-18(4)17-13(12)7-3/h2,10-11,14,16H,5,7-9,15H2,1,3-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine is sourced from PubChem (CID 114161042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).