N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine

C14H23N3 — CID 105149064

IUPACN-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine
SMILESC#CCCC(Cc1c(C)nn(C)c1C)NCC
InChIInChI=1S/C14H23N3/c1-6-8-9-13(15-7-2)10-14-11(3)16-17(5)12(14)4/h1,13,15H,7-10H2,2-5H3
InChIKeyFOLDPTOXRIWYPZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.97
Rot. Bonds6

About N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine

N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine (PubChem CID 105149064) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine
PubChem CID105149064
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine
SMILESC#CCCC(Cc1c(C)nn(C)c1C)NCC
InChIInChI=1S/C14H23N3/c1-6-8-9-13(15-7-2)10-14-11(3)16-17(5)12(14)4/h1,13,15H,7-10H2,2-5H3
InChIKeyFOLDPTOXRIWYPZ-UHFFFAOYSA-N
XLogP1.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine
CID 105179515
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine
CID 105124668
N-ethyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105138658
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105180924
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)but-3-en-2-amine
CID 105163612
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854
N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine
CID 105078315
1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine
CID 105307847
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine
CID 105181594
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)dec-9-en-3-amine
CID 107011559
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105104351

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine?
The IUPAC name of N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine (CID 105149064) is N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine.
What is the SMILES notation for N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine?
The canonical SMILES for N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine is C#CCCC(Cc1c(C)nn(C)c1C)NCC.
What is the InChIKey of N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine?
The InChIKey is FOLDPTOXRIWYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-6-8-9-13(15-7-2)10-14-11(3)16-17(5)12(14)4/h1,13,15H,7-10H2,2-5H3.
What are the key properties of N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine?
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine has a molecular weight of 233.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine is sourced from PubChem (CID 105149064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).