N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine

C15H21N3O — CID 116803622

IUPACN-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
SMILESCNCC(Oc1cnn(C(C)C)c1)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-12(2)18-11-14(9-17-18)19-15(10-16-3)13-7-5-4-6-8-13/h4-9,11-12,15-16H,10H2,1-3H3
InChIKeyMCUHKKUXOGPIBO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.80
Rot. Bonds6

About N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine

N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine (PubChem CID 116803622) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine.

Molecular Properties

Compound NameN-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
PubChem CID116803622
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
SMILESCNCC(Oc1cnn(C(C)C)c1)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-12(2)18-11-14(9-17-18)19-15(10-16-3)13-7-5-4-6-8-13/h4-9,11-12,15-16H,10H2,1-3H3
InChIKeyMCUHKKUXOGPIBO-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine?
The IUPAC name of N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine (CID 116803622) is N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine.
What is the SMILES notation for N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine?
The canonical SMILES for N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine is CNCC(Oc1cnn(C(C)C)c1)c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine?
The InChIKey is MCUHKKUXOGPIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(2)18-11-14(9-17-18)19-15(10-16-3)13-7-5-4-6-8-13/h4-9,11-12,15-16H,10H2,1-3H3.
What are the key properties of N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine?
N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine is sourced from PubChem (CID 116803622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).