N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine

C16H27N3 — CID 105179515

IUPACN-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine
SMILESC#CCCCC(Cc1c(C)nn(C)c1C)NCCC
InChIInChI=1S/C16H27N3/c1-6-8-9-10-15(17-11-7-2)12-16-13(3)18-19(5)14(16)4/h1,15,17H,7-12H2,2-5H3
InChIKeyLANZDFHRIQVBAI-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.75
Rot. Bonds8

About N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine

N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine (PubChem CID 105179515) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine
PubChem CID105179515
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine
SMILESC#CCCCC(Cc1c(C)nn(C)c1C)NCCC
InChIInChI=1S/C16H27N3/c1-6-8-9-10-15(17-11-7-2)12-16-13(3)18-19(5)14(16)4/h1,15,17H,7-12H2,2-5H3
InChIKeyLANZDFHRIQVBAI-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.75
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

N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine
CID 105124668
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine
CID 105149064
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)oct-6-yn-3-amine
CID 105181594
1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105167081
6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
CID 105127219
1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
CID 105179663
1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-1-amine
CID 105179598
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine
CID 104996645
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine
CID 106800316
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928661

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine?
The IUPAC name of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine (CID 105179515) is N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine.
What is the SMILES notation for N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine?
The canonical SMILES for N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine is C#CCCCC(Cc1c(C)nn(C)c1C)NCCC.
What is the InChIKey of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine?
The InChIKey is LANZDFHRIQVBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-6-8-9-10-15(17-11-7-2)12-16-13(3)18-19(5)14(16)4/h1,15,17H,7-12H2,2-5H3.
What are the key properties of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine?
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine is sourced from PubChem (CID 105179515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).