2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine

C15H27N3 — CID 83159779

IUPAC2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(Cc1cc(C)nn1C)C1CC1
InChIInChI=1S/C15H27N3/c1-5-8-16-11-15(3,13-6-7-13)10-14-9-12(2)17-18(14)4/h9,13,16H,5-8,10-11H2,1-4H3
InChIKeyOPJAUFLKQRUPGZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.69
Rot. Bonds7

About 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine

2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 83159779) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID83159779
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(Cc1cc(C)nn1C)C1CC1
InChIInChI=1S/C15H27N3/c1-5-8-16-11-15(3,13-6-7-13)10-14-9-12(2)17-18(14)4/h9,13,16H,5-8,10-11H2,1-4H3
InChIKeyOPJAUFLKQRUPGZ-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.69
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 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine (CID 83159779) is 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)(Cc1cc(C)nn1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is OPJAUFLKQRUPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-8-16-11-15(3,13-6-7-13)10-14-9-12(2)17-18(14)4/h9,13,16H,5-8,10-11H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine?
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 83159779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).