3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine

C11H21N3 — CID 105449521

IUPAC3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C11H21N3/c1-11(2,3)10-8-9(13-14-10)6-5-7-12-4/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyOWLNMNYGVWZPIW-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.86
Rot. Bonds4

About 3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine

3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine (PubChem CID 105449521) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine
PubChem CID105449521
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C11H21N3/c1-11(2,3)10-8-9(13-14-10)6-5-7-12-4/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyOWLNMNYGVWZPIW-UHFFFAOYSA-N
XLogP1.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-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 3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine (CID 105449521) is 3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine is CNCCCc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of 3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is OWLNMNYGVWZPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,3)10-8-9(13-14-10)6-5-7-12-4/h8,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine?
3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 105449521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).