N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine

C14H25N3O — CID 79598548

IUPACN-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine
SMILESCOCCNCCC=CCc1ccn(C(C)C)n1
InChIInChI=1S/C14H25N3O/c1-13(2)17-11-8-14(16-17)7-5-4-6-9-15-10-12-18-3/h4-5,8,11,13,15H,6-7,9-10,12H2,1-3H3
InChIKeyYYJQJDAKAINJBA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.19
Rot. Bonds9

About N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine

N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine (PubChem CID 79598548) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine
PubChem CID79598548
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine
SMILESCOCCNCCC=CCc1ccn(C(C)C)n1
InChIInChI=1S/C14H25N3O/c1-13(2)17-11-8-14(16-17)7-5-4-6-9-15-10-12-18-3/h4-5,8,11,13,15H,6-7,9-10,12H2,1-3H3
InChIKeyYYJQJDAKAINJBA-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79597905
N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine
CID 79598410
5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine
CID 79590829
N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64773550
N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64772125
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720594
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406232
N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine
CID 79762322
N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine
CID 79599180
N-(2-methoxyethyl)-5-thiophen-2-ylpent-3-en-1-amine
CID 79599821
N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine
CID 79597918
N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64778111

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine (CID 79598548) is N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine is COCCNCCC=CCc1ccn(C(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine?
The InChIKey is YYJQJDAKAINJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-13(2)17-11-8-14(16-17)7-5-4-6-9-15-10-12-18-3/h4-5,8,11,13,15H,6-7,9-10,12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine?
N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine is sourced from PubChem (CID 79598548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).