N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine

C15H25N3 — CID 82693803

IUPACN-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCCc1cc(CC)n(C2CCC2CNC2CC2)n1
InChIInChI=1S/C15H25N3/c1-3-12-9-14(4-2)18(17-12)15-8-5-11(15)10-16-13-6-7-13/h9,11,13,15-16H,3-8,10H2,1-2H3
InChIKeyVSOJMCNJWXAVGI-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.71
Rot. Bonds6

About N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 82693803) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
PubChem CID82693803
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCCc1cc(CC)n(C2CCC2CNC2CC2)n1
InChIInChI=1S/C15H25N3/c1-3-12-9-14(4-2)18(17-12)15-8-5-11(15)10-16-13-6-7-13/h9,11,13,15-16H,3-8,10H2,1-2H3
InChIKeyVSOJMCNJWXAVGI-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine (CID 82693803) is N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine is CCc1cc(CC)n(C2CCC2CNC2CC2)n1.
What is the InChIKey of N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is VSOJMCNJWXAVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-12-9-14(4-2)18(17-12)15-8-5-11(15)10-16-13-6-7-13/h9,11,13,15-16H,3-8,10H2,1-2H3.
What are the key properties of N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 247.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 82693803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).