1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine

C16H23N3O2 — CID 105145074

IUPAC1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCCc1cc(C(NC)c2ccc(OC)cc2OC)n(C)n1
InChIInChI=1S/C16H23N3O2/c1-6-11-9-14(19(3)18-11)16(17-2)13-8-7-12(20-4)10-15(13)21-5/h7-10,16-17H,6H2,1-5H3
InChIKeyVCSAYPUTJOYMDG-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.31
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine

1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105145074) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105145074
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCCc1cc(C(NC)c2ccc(OC)cc2OC)n(C)n1
InChIInChI=1S/C16H23N3O2/c1-6-11-9-14(19(3)18-11)16(17-2)13-8-7-12(20-4)10-15(13)21-5/h7-10,16-17H,6H2,1-5H3
InChIKeyVCSAYPUTJOYMDG-UHFFFAOYSA-N
XLogP2.31
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105145725
(3-ethyl-1-methylpyrazol-5-yl)-(4-methoxy-2-methylphenyl)methanol
CID 105083001
[(3-ethyl-1-methylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283558
N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105140865
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175625
[(2,4-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105304512
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 105040438
(3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine
CID 105175242
1-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43482669
1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 62801136
1-(2,4-dimethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031778
(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 103524545

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine (CID 105145074) is 1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine is CCc1cc(C(NC)c2ccc(OC)cc2OC)n(C)n1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is VCSAYPUTJOYMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-6-11-9-14(19(3)18-11)16(17-2)13-8-7-12(20-4)10-15(13)21-5/h7-10,16-17H,6H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine?
1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105145074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).