N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine

C12H21N3O — CID 105481055

IUPACN-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine
SMILESCNCCc1cc(C2CCCCO2)n(C)n1
InChIInChI=1S/C12H21N3O/c1-13-7-6-10-9-11(15(2)14-10)12-5-3-4-8-16-12/h9,12-13H,3-8H2,1-2H3
InChIKeyDNFTWLFFDAGIDD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.42
Rot. Bonds4

About N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine

N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine (PubChem CID 105481055) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine
PubChem CID105481055
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine
SMILESCNCCc1cc(C2CCCCO2)n(C)n1
InChIInChI=1S/C12H21N3O/c1-13-7-6-10-9-11(15(2)14-10)12-5-3-4-8-16-12/h9,12-13H,3-8H2,1-2H3
InChIKeyDNFTWLFFDAGIDD-UHFFFAOYSA-N
XLogP1.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine (CID 105481055) is N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine is CNCCc1cc(C2CCCCO2)n(C)n1.
What is the InChIKey of N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine?
The InChIKey is DNFTWLFFDAGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-13-7-6-10-9-11(15(2)14-10)12-5-3-4-8-16-12/h9,12-13H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine?
N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-methyl-5-(oxan-2-yl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 105481055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).