N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine

C12H19N3 — CID 103701847

IUPACN-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1cnn(CCC)c1
InChIInChI=1S/C12H19N3/c1-3-5-6-7-13-9-12-10-14-15(11-12)8-4-2/h1,10-11,13H,4-9H2,2H3
InChIKeyAOYZMDYDDDAALM-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.80
Rot. Bonds7

About N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine

N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine (PubChem CID 103701847) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine.

Molecular Properties

Compound NameN-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine
PubChem CID103701847
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1cnn(CCC)c1
InChIInChI=1S/C12H19N3/c1-3-5-6-7-13-9-12-10-14-15(11-12)8-4-2/h1,10-11,13H,4-9H2,2H3
InChIKeyAOYZMDYDDDAALM-UHFFFAOYSA-N
XLogP1.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.80
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

3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218
N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 103673607
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 103673638
(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115632420
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126966477
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
CID 115703165
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
N-[(1-propan-2-ylpyrazol-4-yl)methyl]hex-5-yn-1-amine
CID 115694223

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine?
The IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine (CID 103701847) is N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine.
What is the SMILES notation for N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine?
The canonical SMILES for N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine is C#CCCCNCc1cnn(CCC)c1.
What is the InChIKey of N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine?
The InChIKey is AOYZMDYDDDAALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-5-6-7-13-9-12-10-14-15(11-12)8-4-2/h1,10-11,13H,4-9H2,2H3.
What are the key properties of N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine?
N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine is sourced from PubChem (CID 103701847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).