1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine

C15H21N3O2 — CID 114649623

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
SMILESCCn1ncc(OC)c1C(COc1ccccc1)NC
InChIInChI=1S/C15H21N3O2/c1-4-18-15(14(19-3)10-17-18)13(16-2)11-20-12-8-6-5-7-9-12/h5-10,13,16H,4,11H2,1-3H3
InChIKeyVSTDLNVEZRZGRB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.25
Rot. Bonds7

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine (PubChem CID 114649623) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
PubChem CID114649623
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
SMILESCCn1ncc(OC)c1C(COc1ccccc1)NC
InChIInChI=1S/C15H21N3O2/c1-4-18-15(14(19-3)10-17-18)13(16-2)11-20-12-8-6-5-7-9-12/h5-10,13,16H,4,11H2,1-3H3
InChIKeyVSTDLNVEZRZGRB-UHFFFAOYSA-N
XLogP2.25
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114648328
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114650079
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114649074
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 114647418
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenoxyethanamine
CID 114649620
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine
CID 114646096
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105186575
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105186645
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylethanamine
CID 105182828

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine (CID 114649623) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine is CCn1ncc(OC)c1C(COc1ccccc1)NC.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine?
The InChIKey is VSTDLNVEZRZGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18-15(14(19-3)10-17-18)13(16-2)11-20-12-8-6-5-7-9-12/h5-10,13,16H,4,11H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine is sourced from PubChem (CID 114649623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).