5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine

C15H27N3 — CID 79590829

IUPAC5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=CCc1ccn(C(C)CC)n1
InChIInChI=1S/C15H27N3/c1-4-11-16-12-8-6-7-9-15-10-13-18(17-15)14(3)5-2/h6-7,10,13-14,16H,4-5,8-9,11-12H2,1-3H3
InChIKeyXRKMUQSEDUROFL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.34
Rot. Bonds9

About 5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine

5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine (PubChem CID 79590829) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine
PubChem CID79590829
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=CCc1ccn(C(C)CC)n1
InChIInChI=1S/C15H27N3/c1-4-11-16-12-8-6-7-9-15-10-13-18(17-15)14(3)5-2/h6-7,10,13-14,16H,4-5,8-9,11-12H2,1-3H3
InChIKeyXRKMUQSEDUROFL-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 64779069
N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine
CID 79598548
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194434
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
CID 83139603
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719105
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 64778333
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
CID 104989878

Frequently Asked Questions

What is the IUPAC name of 5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of 5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine (CID 79590829) is 5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine is CCCNCCC=CCc1ccn(C(C)CC)n1.
What is the InChIKey of 5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine?
The InChIKey is XRKMUQSEDUROFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-11-16-12-8-6-7-9-15-10-13-18(17-15)14(3)5-2/h6-7,10,13-14,16H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine?
5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79590829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).