3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine

C15H29N3 — CID 82695051

IUPAC3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)n1nc(CC)cc1CC
InChIInChI=1S/C15H29N3/c1-6-9-16-11-12(4)13(5)18-15(8-3)10-14(7-2)17-18/h10,12-13,16H,6-9,11H2,1-5H3
InChIKeyQJKQNHKUUICSFM-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.20
Rot. Bonds8

About 3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine

3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine (PubChem CID 82695051) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine
PubChem CID82695051
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)n1nc(CC)cc1CC
InChIInChI=1S/C15H29N3/c1-6-9-16-11-12(4)13(5)18-15(8-3)10-14(7-2)17-18/h10,12-13,16H,6-9,11H2,1-5H3
InChIKeyQJKQNHKUUICSFM-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine (CID 82695051) is 3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine is CCCNCC(C)C(C)n1nc(CC)cc1CC.
What is the InChIKey of 3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is QJKQNHKUUICSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-9-16-11-12(4)13(5)18-15(8-3)10-14(7-2)17-18/h10,12-13,16H,6-9,11H2,1-5H3.
What are the key properties of 3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine?
3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 82695051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).