N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine

C11H19N3O — CID 105463302

IUPACN-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine
SMILESCNC(C)c1cc(C2CCOCC2)[nH]n1
InChIInChI=1S/C11H19N3O/c1-8(12-2)10-7-11(14-13-10)9-3-5-15-6-4-9/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyGIFKTSMNGPMJQL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.58
Rot. Bonds3

About N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine

N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine (PubChem CID 105463302) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine
PubChem CID105463302
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine
SMILESCNC(C)c1cc(C2CCOCC2)[nH]n1
InChIInChI=1S/C11H19N3O/c1-8(12-2)10-7-11(14-13-10)9-3-5-15-6-4-9/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyGIFKTSMNGPMJQL-UHFFFAOYSA-N
XLogP1.58
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine (CID 105463302) is N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine is CNC(C)c1cc(C2CCOCC2)[nH]n1.
What is the InChIKey of N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine?
The InChIKey is GIFKTSMNGPMJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(12-2)10-7-11(14-13-10)9-3-5-15-6-4-9/h7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine?
N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]ethanamine is sourced from PubChem (CID 105463302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).