2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine

C12H23N3 — CID 79219682

IUPAC2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C(C)(C)C)c(C)c1C(C)CN
InChIInChI=1S/C12H23N3/c1-8(7-13)11-9(2)14-15(10(11)3)12(4,5)6/h8H,7,13H2,1-6H3
InChIKeyYZHRZZTXTWNCGZ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.32
Rot. Bonds2

About 2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine

2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine (PubChem CID 79219682) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
PubChem CID79219682
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C(C)(C)C)c(C)c1C(C)CN
InChIInChI=1S/C12H23N3/c1-8(7-13)11-9(2)14-15(10(11)3)12(4,5)6/h8H,7,13H2,1-6H3
InChIKeyYZHRZZTXTWNCGZ-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine (CID 79219682) is 2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine is Cc1nn(C(C)(C)C)c(C)c1C(C)CN.
What is the InChIKey of 2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is YZHRZZTXTWNCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-8(7-13)11-9(2)14-15(10(11)3)12(4,5)6/h8H,7,13H2,1-6H3.
What are the key properties of 2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine?
2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 79219682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).