2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine

C13H21N3 — CID 121213156

IUPAC2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine
SMILESNCCc1c(C2CCC2)n[nH]c1C1CCC1
InChIInChI=1S/C13H21N3/c14-8-7-11-12(9-3-1-4-9)15-16-13(11)10-5-2-6-10/h9-10H,1-8,14H2,(H,15,16)
InChIKeyGPERTSNBYHHMNQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.45
Rot. Bonds4

About 2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine

2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine (PubChem CID 121213156) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine
PubChem CID121213156
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine
SMILESNCCc1c(C2CCC2)n[nH]c1C1CCC1
InChIInChI=1S/C13H21N3/c14-8-7-11-12(9-3-1-4-9)15-16-13(11)10-5-2-6-10/h9-10H,1-8,14H2,(H,15,16)
InChIKeyGPERTSNBYHHMNQ-UHFFFAOYSA-N
XLogP2.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3,5-di(cyclobutyl)-1H-pyrazol-4-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 2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine (CID 121213156) is 2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine is NCCc1c(C2CCC2)n[nH]c1C1CCC1.
What is the InChIKey of 2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine?
The InChIKey is GPERTSNBYHHMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-8-7-11-12(9-3-1-4-9)15-16-13(11)10-5-2-6-10/h9-10H,1-8,14H2,(H,15,16).
What are the key properties of 2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine?
2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 121213156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).