N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine

C14H23N3 — CID 114161157

IUPACN-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCc1ccn(C(CC)CC)n1
InChIInChI=1S/C14H23N3/c1-5-12(6-2)15-11-13-9-10-17(16-13)14(7-3)8-4/h1,9-10,12,14-15H,6-8,11H2,2-4H3
InChIKeyFBCCLVHAAOCWQT-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.75
Rot. Bonds7

About N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine (PubChem CID 114161157) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine.

Molecular Properties

Compound NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine
PubChem CID114161157
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCc1ccn(C(CC)CC)n1
InChIInChI=1S/C14H23N3/c1-5-12(6-2)15-11-13-9-10-17(16-13)14(7-3)8-4/h1,9-10,12,14-15H,6-8,11H2,2-4H3
InChIKeyFBCCLVHAAOCWQT-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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

3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
N-[(1-propan-2-ylpyrazol-3-yl)methyl]hex-1-yn-3-amine
CID 106229761
N-[(1-phenylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 106225141
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
(1S)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine
CID 106024325
(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81349612
methyl 2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propanoate
CID 64801059
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 64800874
(1S)-1-cyclohexyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81384939

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine?
The IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine (CID 114161157) is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine.
What is the SMILES notation for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine?
The canonical SMILES for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine is C#CC(CC)NCc1ccn(C(CC)CC)n1.
What is the InChIKey of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine?
The InChIKey is FBCCLVHAAOCWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-12(6-2)15-11-13-9-10-17(16-13)14(7-3)8-4/h1,9-10,12,14-15H,6-8,11H2,2-4H3.
What are the key properties of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine?
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine has a molecular weight of 233.36 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine is sourced from PubChem (CID 114161157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).