1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine

C13H25N3 — CID 105481323

IUPAC1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine
SMILESCC(C)Cc1cc(C(C)N)nn1C(C)(C)C
InChIInChI=1S/C13H25N3/c1-9(2)7-11-8-12(10(3)14)15-16(11)13(4,5)6/h8-10H,7,14H2,1-6H3
InChIKeyAAFMMAPNBKTEHK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.86
Rot. Bonds3

About 1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine

1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine (PubChem CID 105481323) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine
PubChem CID105481323
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine
SMILESCC(C)Cc1cc(C(C)N)nn1C(C)(C)C
InChIInChI=1S/C13H25N3/c1-9(2)7-11-8-12(10(3)14)15-16(11)13(4,5)6/h8-10H,7,14H2,1-6H3
InChIKeyAAFMMAPNBKTEHK-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine 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 1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine?
The IUPAC name of 1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine (CID 105481323) is 1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine is CC(C)Cc1cc(C(C)N)nn1C(C)(C)C.
What is the InChIKey of 1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine?
The InChIKey is AAFMMAPNBKTEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)7-11-8-12(10(3)14)15-16(11)13(4,5)6/h8-10H,7,14H2,1-6H3.
What are the key properties of 1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine?
1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 105481323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).