3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol

C12H23N3O — CID 83082881

IUPAC3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCn1cc(CNCCCO)c(C(C)(C)C)n1
InChIInChI=1S/C12H23N3O/c1-12(2,3)11-10(9-15(4)14-11)8-13-6-5-7-16/h9,13,16H,5-8H2,1-4H3
InChIKeyNGECRHSPZKXHJY-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.19
Rot. Bonds5

About 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol

3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol (PubChem CID 83082881) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol
PubChem CID83082881
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCn1cc(CNCCCO)c(C(C)(C)C)n1
InChIInChI=1S/C12H23N3O/c1-12(2,3)11-10(9-15(4)14-11)8-13-6-5-7-16/h9,13,16H,5-8H2,1-4H3
InChIKeyNGECRHSPZKXHJY-UHFFFAOYSA-N
XLogP1.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol 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-1-methylpyrazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol (CID 83082881) is 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol is Cn1cc(CNCCCO)c(C(C)(C)C)n1.
What is the InChIKey of 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol?
The InChIKey is NGECRHSPZKXHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,3)11-10(9-15(4)14-11)8-13-6-5-7-16/h9,13,16H,5-8H2,1-4H3.
What are the key properties of 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol?
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 83082881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).