1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine

C17H33N3 — CID 104989660

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine
SMILESCCCCCCC(Cc1ccn(C(C)CC)n1)NCC
InChIInChI=1S/C17H33N3/c1-5-8-9-10-11-16(18-7-3)14-17-12-13-20(19-17)15(4)6-2/h12-13,15-16,18H,5-11,14H2,1-4H3
InChIKeyYQRFIDSNFFEMNC-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.35
Rot. Bonds11

About 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine (PubChem CID 104989660) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine
PubChem CID104989660
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine
SMILESCCCCCCC(Cc1ccn(C(C)CC)n1)NCC
InChIInChI=1S/C17H33N3/c1-5-8-9-10-11-16(18-7-3)14-17-12-13-20(19-17)15(4)6-2/h12-13,15-16,18H,5-11,14H2,1-4H3
InChIKeyYQRFIDSNFFEMNC-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ylhydrazine
CID 105313398
[1-(1-butan-2-ylpyrazol-3-yl)-3-methylheptan-2-yl]hydrazine
CID 114247274
1-(1-butan-2-ylpyrazol-3-yl)-3-ethyl-N-methylheptan-2-amine
CID 104989714
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718183
N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154886
N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 79953927
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 64783818
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
CID 104989878
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715887

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine (CID 104989660) is 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine is CCCCCCC(Cc1ccn(C(C)CC)n1)NCC.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine?
The InChIKey is YQRFIDSNFFEMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-8-9-10-11-16(18-7-3)14-17-12-13-20(19-17)15(4)6-2/h12-13,15-16,18H,5-11,14H2,1-4H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 4.35, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine is sourced from PubChem (CID 104989660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).