1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine

C14H23N3 — CID 105179663

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
SMILESC#CCCCC(NCCC)c1cc(C)nn1C
InChIInChI=1S/C14H23N3/c1-5-7-8-9-13(15-10-6-2)14-11-12(3)16-17(14)4/h1,11,13,15H,6-10H2,2-4H3
InChIKeyYWVKSRBQCFXDBF-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.57
Rot. Bonds7

About 1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine

1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine (PubChem CID 105179663) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
PubChem CID105179663
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
SMILESC#CCCCC(NCCC)c1cc(C)nn1C
InChIInChI=1S/C14H23N3/c1-5-7-8-9-13(15-10-6-2)14-11-12(3)16-17(14)4/h1,11,13,15H,6-10H2,2-4H3
InChIKeyYWVKSRBQCFXDBF-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine
CID 105149010
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine
CID 105179702
1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 114984287
1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163107
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine
CID 105164051
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine
CID 105333462
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine
CID 105179636
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine
CID 105179515

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine (CID 105179663) is 1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine is C#CCCCC(NCCC)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine?
The InChIKey is YWVKSRBQCFXDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-7-8-9-13(15-10-6-2)14-11-12(3)16-17(14)4/h1,11,13,15H,6-10H2,2-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine?
1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine is sourced from PubChem (CID 105179663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).