2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine

C13H25N3 — CID 105481306

IUPAC2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine
SMILESCNCCc1cc(C(C)(C)C)n(C(C)C)n1
InChIInChI=1S/C13H25N3/c1-10(2)16-12(13(3,4)5)9-11(15-16)7-8-14-6/h9-10,14H,7-8H2,1-6H3
InChIKeyFISOEYBLZYLIQP-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.52
Rot. Bonds4

About 2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine

2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine (PubChem CID 105481306) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine
PubChem CID105481306
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine
SMILESCNCCc1cc(C(C)(C)C)n(C(C)C)n1
InChIInChI=1S/C13H25N3/c1-10(2)16-12(13(3,4)5)9-11(15-16)7-8-14-6/h9-10,14H,7-8H2,1-6H3
InChIKeyFISOEYBLZYLIQP-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine (CID 105481306) is 2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine is CNCCc1cc(C(C)(C)C)n(C(C)C)n1.
What is the InChIKey of 2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine?
The InChIKey is FISOEYBLZYLIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)16-12(13(3,4)5)9-11(15-16)7-8-14-6/h9-10,14H,7-8H2,1-6H3.
What are the key properties of 2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine?
2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1-propan-2-ylpyrazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 105481306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).