1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine

C16H23N3O — CID 102812258

IUPAC1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2cn(C)nc2CC)cc1
InChIInChI=1S/C16H23N3O/c1-5-15-14(11-19(4)18-15)16(17-3)12-7-9-13(10-8-12)20-6-2/h7-11,16-17H,5-6H2,1-4H3
InChIKeySUKMYYDHROLNSC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.69
Rot. Bonds6

About 1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine

1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 102812258) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
PubChem CID102812258
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2cn(C)nc2CC)cc1
InChIInChI=1S/C16H23N3O/c1-5-15-14(11-19(4)18-15)16(17-3)12-7-9-13(10-8-12)20-6-2/h7-11,16-17H,5-6H2,1-4H3
InChIKeySUKMYYDHROLNSC-UHFFFAOYSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine
CID 102812318
1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 102812002
1-(4-ethoxyphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990532
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
CID 112671170
1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802169
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
1-(4-ethoxyphenyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 55222444
[(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine
CID 107562686
1-(3-ethyl-1-methylpyrazol-4-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 102812364
N-[(3-ethyl-1-methylpyrazol-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 102812742
1-(4-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62791020

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine (CID 102812258) is 1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine is CCOc1ccc(C(NC)c2cn(C)nc2CC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is SUKMYYDHROLNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-15-14(11-19(4)18-15)16(17-3)12-7-9-13(10-8-12)20-6-2/h7-11,16-17H,5-6H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine?
1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 102812258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).