2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine

C12H23N3 — CID 83834642

IUPAC2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
SMILESCNCC(C)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C12H23N3/c1-9(8-13-5)10-7-11(12(2,3)4)14-15(10)6/h7,9,13H,8H2,1-6H3
InChIKeyNSNKCVTVCFOUIG-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.04
Rot. Bonds3

About 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine

2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine (PubChem CID 83834642) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
PubChem CID83834642
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
SMILESCNCC(C)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C12H23N3/c1-9(8-13-5)10-7-11(12(2,3)4)14-15(10)6/h7,9,13H,8H2,1-6H3
InChIKeyNSNKCVTVCFOUIG-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine (CID 83834642) is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine is CNCC(C)c1cc(C(C)(C)C)nn1C.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is NSNKCVTVCFOUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(8-13-5)10-7-11(12(2,3)4)14-15(10)6/h7,9,13H,8H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 83834642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).