2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine

C13H17N3O — CID 107330555

IUPAC2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine
SMILESCNC(COC)c1ccnn1-c1ccccc1
InChIInChI=1S/C13H17N3O/c1-14-12(10-17-2)13-8-9-15-16(13)11-6-4-3-5-7-11/h3-9,12,14H,10H2,1-2H3
InChIKeyGEFQSMMSUGDDLO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.78
Rot. Bonds5

About 2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine

2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine (PubChem CID 107330555) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine
PubChem CID107330555
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine
SMILESCNC(COC)c1ccnn1-c1ccccc1
InChIInChI=1S/C13H17N3O/c1-14-12(10-17-2)13-8-9-15-16(13)11-6-4-3-5-7-11/h3-9,12,14H,10H2,1-2H3
InChIKeyGEFQSMMSUGDDLO-UHFFFAOYSA-N
XLogP1.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107331976
4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332084
3-(furan-2-yl)-N-methyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107332164
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332190
N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330516
5-(methoxymethyl)-1-phenylpyrazole
CID 13434116
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine
CID 107330721
N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330894
1-(1H-imidazol-2-yl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330786
N-methyl-1-(1-methylimidazol-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330821

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine (CID 107330555) is 2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine is CNC(COC)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine?
The InChIKey is GEFQSMMSUGDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-14-12(10-17-2)13-8-9-15-16(13)11-6-4-3-5-7-11/h3-9,12,14H,10H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine?
2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 107330555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).